-
(4-methylpyridin-2-yl)-bis(2,4,6-trimethylphenyl)phosphane Molecule
InChIKey LBDBPQMFDXLYKP-UHFFFAOYSA-N Molecular Formula C24H28NP
Related Dataset(s)
- mass spectrometry (MS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 31P nuclear magnetic resonance spectroscopy (31P NMR)
-
(4-phenoxazin-10-ylphenyl)boronic acid Molecule
InChIKey JJCYYIFOWPAIAW-UHFFFAOYSA-N Molecular Formula C18H14BNO3
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- 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)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- mass spectrometry (MS)
-
(4E)-2-bromo-4-indeno[2,1-b]thiophen-4-ylideneindeno[2,1-b]thiophene Molecule
InChIKey BKIXXIBGPJJRBQ-FMQUCBEESA-N Molecular Formula C22H11BrS2
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- electrospray ionisation mass spectrometry (ESMS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
(4E)-4-indeno[2,1-b]thiophen-4-ylideneindeno[2,1-b]thiophene Molecule
InChIKey CZUUIWPWZNRIDB-FMQUCBEESA-N Molecular Formula C22H12S2
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- electrospray ionisation mass spectrometry (ESMS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 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 nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
-
(5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one Molecule
InChIKey NZGWDASTMWDZIW-MRVPVSSYSA-N Molecular Formula C10H16O
Related Dataset(s)
- ultraviolet-visible spectrophotometry (UV-VIS)
- Pulegone.hsqc
- Pulegone.aptjmod
- Pulegone.proton
- Pulegone.hmbc
- NMR_Pulegone_Bruker-FID.hmbc
- Pulegone.noesy
- NMR_Pulegone_Bruker-FID[3]
- NMR_Pulegone_Bruker-FID.1d
- Pulegone.cosy
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- NMR_Pulegone_Bruker-FID.noesy
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- NMR_Pulegone_Bruker-FID.hsqc
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- electron ionisation mass spectrometry (EI-MS)
- NMR_Pulegone_Bruker-FID.aptjmod
-
(6-cyclopentyl-4H-pyrazolo[3,4-d]triazin-3-yl)-phenylmethanone Molecule
InChIKey JUJUWEBLNYJZJO-UHFFFAOYSA-N Molecular Formula C16H17N5O
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- mass spectrometry (MS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
(9S,9aR)-7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahyd... Molecule
InChIKey CAYMSCGTKZIVTN-YYVQVQHNSA-N Molecular Formula C20H20O6
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- rotating frame Overhauser effect spectroscopy (ROESY)
- nuclear magnetic resonance spectroscopy (NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
(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)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- Quinine.hmbc
- Quinine[2]
- Quinine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Quinine; MALDI-TOFTOF; MS2; CE: 20kV; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Quinine.noesy
- Quinine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Quinine[1]
- Quinine.aptjmod
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Quinine[4]
- Quinine[5]
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- Quinine.proton
- Quinine.cosy
- Quinine.hsqc
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Quinine[6]
- Quinine[3]
-
(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)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- Cinchonidine; LC-ESI-QTOF; MS2
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Cinchonidine; LC-ESI-QQQ; MS; [M+H]+
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Cinchonidine; LC-ESI-QTOF; MS2
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- Cinchonidine; LC-ESI-QTOF; MS2
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Cinchonidine; LC-ESI-QTOF; MS2
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
-
(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)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 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)
-
(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--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- 1H--15N heteronuclear single quantum coherence (1H-15N HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
-
(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)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Quinidine; LC-ESI-Q; MS; POS; 60 V
- Quinidine; LC-ESI-Q; MS; POS; 75 V
- Quinidine; LC-ESI-Q; MS; POS; 15 V, 30 V
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 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; 45 V
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Quinidine; LC-ESI-Q; MS; POS; 90 V
-
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol Molecule
InChIKey KMPWYEUPVWOPIM-QAMTZSDWSA-N Molecular Formula C19H22N2O
Related Dataset(s)
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-Q; MS; POS; 15 V, 30 V
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Cinchonine; LC-ESI-ITFT; MS; [M+H]+; isotope pattern
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QQQ; MS; [M+H]+
- Cinchonine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-Q; MS; POS; 60 V
- Cinchonine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
- Cinchonine; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Cinchonine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
- Cinchonine; LC-ESI-Q; MS; POS; 45 V
- Cinchonine; LC-ESI-Q; MS; POS; 75 V, 90 V
- Cinchonine; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Cinchonine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Cinchonine; LC-ESI-QTOF; MS2
-
(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)
- Hydroquinidine; LC-ESI-Q; MS; POS; 90 V
- Hydroquinidine; LC-ESI-QTOF; MS; POSITIVE
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Hydroquinidine; LC-APCI-QTOF; MS; NEGATIVE
- Hydroquinidine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Hydroquinidine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Hydroquinidine; LC-ESI-Q; MS; POS; 45 V
- Hydroquinidine; LC-ESI-QTOF; MS; NEGATIVE
- Hydroquinidine; LC-ESI-Q; MS; POS; 30 V
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Hydroquinidine; LC-ESI-Q; MS; POS; 60 V
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Hydroquinidine; LC-APCI-QTOF; MS; POSITIVE
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Hydroquinidine; LC-ESI-Q; MS; POS; 15 V
- Hydroquinidine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Hydroquinidine; LC-ESI-Q; MS; POS; 75 V
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
-
1,2,3,4-tetrabromo-5,5-dimethoxycyclopenta-1,3-diene Molecule
InChIKey KYLWWILISUILBZ-UHFFFAOYSA-N Molecular Formula C7H6Br4O2
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
1,2,3,4-tetrahydroisoquinoline Molecule
InChIKey UWYZHKAOTLEWKK-UHFFFAOYSA-N Molecular Formula C9H11N
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1,2,3,4-TETRAHYDROISOQUINOLINE; EI-B; MS
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
-
1,2-dihydronaphthalene Molecule
InChIKey KEIFWROAQVVDBN-UHFFFAOYSA-N Molecular Formula C10H10
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1,2-DIHYDRONAPHTHALENE; CI-B; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
1,3-dibromo-2-fluorobenzene Molecule
InChIKey GPPYYGWYUFOWSR-UHFFFAOYSA-N Molecular Formula C6H3Br2F
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
1,3-dichloropropan-2-one Molecule
InChIKey SUNMBRGCANLOEG-UHFFFAOYSA-N Molecular Formula C3H4Cl2O
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
1,4,7,10,13,16-hexaoxacyclooctadecane Molecule
InChIKey XEZNGIUYQVAUSS-UHFFFAOYSA-N Molecular Formula C12H24O6
Related Dataset(s)
