-
(1R,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phen... Molecule
InChIKey MSWJSDLNPCSSNW-MISYRCLQSA-N Molecular Formula C20H26O3
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- nuclear magnetic resonance spectroscopy (NMR)
-
(1R,4aS,10aR)-7-(1-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahy... Molecule
InChIKey RNTLHJYRNWIHOP-HVNDSYIDSA-N Molecular Formula C20H26O4
Related Dataset(s)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- nuclear magnetic resonance spectroscopy (NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
-
(1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahy... Molecule
InChIKey MXPXAZNVQUWDFH-NSISKUIASA-N Molecular Formula C20H26O4
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
-
(1R,4aS,9S,10aR)-9-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahyd... Molecule
InChIKey GPFVBJYXFRIOFB-ONCXSQPRSA-N Molecular Formula C20H28O3
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- nuclear magnetic resonance spectroscopy (NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
(5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one Molecule
InChIKey NZGWDASTMWDZIW-MRVPVSSYSA-N Molecular Formula C10H16O
Related Dataset(s)
- Pulegone.aptjmod
- NMR_Pulegone_Bruker-FID.hmbc
- Pulegone.hsqc
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Pulegone.proton
- NMR_Pulegone_Bruker-FID.noesy
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- NMR_Pulegone_Bruker-FID[3]
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- NMR_Pulegone_Bruker-FID.1d
- electron ionisation mass spectrometry (EI-MS)
- Pulegone.cosy
- ultraviolet-visible spectrophotometry (UV-VIS)
- NMR_Pulegone_Bruker-FID.hsqc
- Pulegone.hmbc
- NMR_Pulegone_Bruker-FID.aptjmod
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Pulegone.noesy
-
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4... Molecule
InChIKey LOUPRKONTZGTKE-WZBLMQSHSA-N Molecular Formula C20H24N2O2
Related Dataset(s)
- Quinine; MALDI-TOFTOF; MS2; CE: 20kV; [M+H]+
- Quinine.cosy
- Quinine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Quinine.aptjmod
- Quinine.hsqc
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Quinine.proton
- Quinine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Quinine.hmbc
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Quinine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Quinine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Quinine.noesy
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
-
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol Molecule
InChIKey KMPWYEUPVWOPIM-KODHJQJWSA-N Molecular Formula C19H22N2O
Related Dataset(s)
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Cinchonidine; LC-ESI-QTOF; MS2
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Cinchonidine; LC-ESI-QTOF; MS2
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Cinchonidine; LC-ESI-QTOF; MS2
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Cinchonidine; LC-ESI-QQQ; MS; [M+H]+
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2
-
(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-y... Molecule
InChIKey LJOQGZACKSYWCH-WZBLMQSHSA-N Molecular Formula C20H26N2O2
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
-
(S)-(6-aminoquinolin-4-yl)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-y... Molecule
InChIKey PPQWXNWLIDJACB-WXPXUSHHSA-N Molecular Formula C19H23N3O
Related Dataset(s)
- 1H--15N heteronuclear single quantum coherence (1H-15N HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H--1H correlation spectroscopy (1H-1H COSY)
-
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4... Molecule
InChIKey LOUPRKONTZGTKE-LHHVKLHASA-N Molecular Formula C20H24N2O2
Related Dataset(s)
- Quinidine; LC-ESI-Q; MS; POS; 15 V, 30 V
- Quinidine; LC-ESI-Q; MS; POS; 75 V
- Quinidine; LC-ESI-Q; MS; POS; 90 V
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- Quinidine; LC-ESI-Q; MS; POS; 60 V
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Quinidine; LC-ESI-Q; MS; POS; 45 V
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-y... Molecule
InChIKey LJOQGZACKSYWCH-LHHVKLHASA-N Molecular Formula C20H26N2O2
Related Dataset(s)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- Hydroquinidine; LC-ESI-Q; MS; POS; 90 V
- Hydroquinidine; LC-ESI-Q; MS; POS; 15 V
- Hydroquinidine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Hydroquinidine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Hydroquinidine; LC-APCI-QTOF; MS; NEGATIVE
- Hydroquinidine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Hydroquinidine; LC-ESI-QTOF; MS; POSITIVE
- Hydroquinidine; LC-ESI-QTOF; MS; NEGATIVE
- Hydroquinidine; LC-ESI-Q; MS; POS; 75 V
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Hydroquinidine; LC-ESI-Q; MS; POS; 60 V
- Hydroquinidine; LC-ESI-Q; MS; POS; 45 V
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Hydroquinidine; LC-APCI-QTOF; MS; POSITIVE
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Hydroquinidine; LC-ESI-Q; MS; POS; 30 V
-
1,5,8-trimethylazuleno[6,5-b]furan Molecule
InChIKey LMVGRKPOXLBIFQ-UHFFFAOYSA-N Molecular Formula C15H14O
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- gas chromatography-mass spectrometry (GCMS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- ultraviolet-visible spectrophotometry (UV-VIS)
- Fourier transform infrared spectroscopy (FTIR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- NMR_Bruker-FID.1d
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- NMR_Bruker-FID.hsqc
- electrospray ionisation tandem mass spectrometry (ESI-MS2)
- NMR_Bruker-FID.cosy
- NMR_Bruker-FID.hmbc
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- NMR_Bruker-FID.cosy
- NMR_Bruker-FID.aptjmod
- NMR_Bruker-FID.1d
-
2-hydroxy-5-(4-hydroxy-3,6-dioxo-2,5-diphenylcyclohexa-1,4-dien-1-yl)-3,6-dip... Molecule
InChIKey JIJBMATWFKIPNS-UHFFFAOYSA-N Molecular Formula C36H22O6
Related Dataset(s)
- nuclear magnetic resonance spectroscopy (NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy... Molecule
InChIKey DGQLVPJVXFOQEV-JNVSTXMASA-N Molecular Formula C22H20O13
Related Dataset(s)
- NMR_Bruker-FID[5]
- Carminic acid; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Carminic acid; LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
- NMR_Bruker-FID[6]
- Carminic acid; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Carminic acid; LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
- ultraviolet-visible spectrophotometry (UV-VIS)
- NMR_Bruker-FID[4]
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- circular dichroism spectroscopy (CD spectrometry)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- ultraviolet-visible spectrophotometry (UV-VIS)
- NMR_Bruker-FID[2]
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Carminic acid; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
- ultraviolet-visible spectrophotometry (UV-VIS)
- Carminic acid; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- NMR_Bruker-FID[3]
- NMR_Bruker-FID[1]
- electrospray ionisation tandem mass spectrometry (ESI-MS2)
-
3,6-bis(4-hydroxyphenyl)-4-methoxybenzene-1,2-diol Molecule
InChIKey HDXIDAAYQIUQQS-UHFFFAOYSA-N Molecular Formula C19H16O5
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- nuclear magnetic resonance spectroscopy (NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
3-hydroxy-5-(4-hydroxyphenyl)-2-phenylcyclohexa-2,5-diene-1,4-dione Molecule
InChIKey HLFCRNGNTFLPPX-UHFFFAOYSA-N Molecular Formula C18H12O4
Related Dataset(s)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
- nuclear magnetic resonance spectroscopy (NMR)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
-
3-hydroxy-5-[2-(4-hydroxyphenyl)-2-oxoethyl]-5-methoxy-4-phenylfuran-2-one Molecule
InChIKey LQKBSBWZJOHANT-UHFFFAOYSA-N Molecular Formula C19H16O6
Related Dataset(s)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- nuclear magnetic resonance spectroscopy (NMR)
-
6-(4-hydroxyphenyl)-4-methoxy-3-phenylbenzene-1,2-diol Molecule
InChIKey NJXLDQMVOFLMIX-UHFFFAOYSA-N Molecular Formula C19H16O4
Related Dataset(s)
- high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- nuclear magnetic resonance spectroscopy (NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
-
N-[(2R,3S,4S)-3-methyl-6-oxo-2-phenyl-3,4-dihydro-2H-pyrido[2,1-a]isoindol-4-... Molecule
InChIKey AMHHPAAZAGBYNQ-YJGRUCBDSA-N Molecular Formula C26H22N2O2
Related Dataset(s)
- high-resolution mass spectrometry (HRMS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- single crystal X-ray diffraction (single-crystal X-ray diffraction)
- thin-layer chromatography (TLC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple quantum coherence (13C-1H HMQC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
-
nfdi4chem-mol2320 (Unknown Molecule) Molecule
InChIKey ZDABJYRHAPYMAL-AUSIHYDXSA-A Molecular Formula C184H168Au2F60N16O16P10Ru8
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- ultraviolet-visible spectrophotometry (UV-VIS)
- desorption electrospray ionisation mass spectrometry (DESIMS)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H-1H only para-hydrogen spectroscopy correlation spectroscopy (1H-1H OPSY-COSY)
