-
3-chloro-4-methylbenzaldehyde Molecule
InChIKey OJFQNFVCICBYQC-UHFFFAOYSA-N Molecular Formula C8H7ClO
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
3-chloro-6-(2-methoxyethoxy)-1H-indole Molecule
InChIKey ABNQQHIZTDQAJQ-UHFFFAOYSA-N Molecular Formula C11H12ClNO2
Related Dataset(s)
- 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)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- infrared absorption spectroscopy (IR)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
-
3-hydroxy-2,5-diphenylcyclohexa-2,5-diene-1,4-dione Molecule
InChIKey GXMJKXBNCXNACS-UHFFFAOYSA-N Molecular Formula C18H12O3
Related Dataset(s)
- one-dimensional nuclear Overhauser enhancement spectroscopy (1D NOESY)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
- high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- nuclear magnetic resonance spectroscopy (NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
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)
-
3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one Molecule
InChIKey ZSQDINYGPVLTCM-UHFFFAOYSA-N Molecular Formula C19H16O5
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
- Allantofuranone (1155308-25-0)[hmbc.dx]
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Allantofuranone (1155308-25-0)[hsqc.dx]
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- nuclear magnetic resonance spectroscopy (NMR)
- two-dimensional nuclear Overhauser enhancement spectroscopy (2D NOESY)
- double-quantum-filtered correlation spectroscopy (DQF-COSY)
- Allantofuranone (1155308-25-0)[13c.dx]
- high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
- Allantofuranone (1155308-25-0)[1h.dx]
- Allantofuranone (1155308-25-0)[cosy.dx]
-
3-hydroxybenzoic acid Molecule
InChIKey IJFXRHURBJZNAO-UHFFFAOYSA-N Molecular Formula C7H6O3
Related Dataset(s)
- m-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- m-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- m-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- META-HYDROXYBENZOIC ACID; EI-B; MS
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- m-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- 3-hydroxybenzoic acid; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
- m-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- 3-HydroxyBenzoic acid; EI-B; MS; 2 TMS; RT: 619.07 s
-
3-iodopyridin-2-amine Molecule
InChIKey UUDNBWSHTUFGDQ-UHFFFAOYSA-N Molecular Formula C5H5IN2
Related Dataset(s)
- 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)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
-
3-iodopyridin-4-amine Molecule
InChIKey ZGOCEDVVZKFHSY-UHFFFAOYSA-N Molecular Formula C5H5IN2
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
3-methoxybenzaldehyde Molecule
InChIKey WMPDAIZRQDCGFH-UHFFFAOYSA-N Molecular Formula C8H8O2
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- M-METHOXYBENZALDEHYDE; EI-B; MS
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- META-METHOXYBENZALDEHYDE; EI-B; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
3-methyl-1-[6-[(4-methylphenyl)methyl]-4H-pyrazolo[3,4-d]triazin-3-yl]butan-1... Molecule
InChIKey KEQOQOHNHBUGFW-UHFFFAOYSA-N Molecular Formula C17H21N5O
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- fast-atom bombardment mass spectrometry (FABMS)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
3-propan-2-ylquinoxalin-2-amine Molecule
InChIKey IRSRPTQGLZTLGL-UHFFFAOYSA-N Molecular Formula C11H13N3
Related Dataset(s)
-
3-tert-butyl-1-[(3-tert-butylpyrazol-1-yl)-thiophen-2-ylmethyl]pyrazole Molecule
InChIKey QTIQVBQUEFIRBE-UHFFFAOYSA-N Molecular Formula C19H26N4S
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- high-resolution electrospray ionisation mass spectrometry (HRESIMS)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
-
3-tert-butyl-2-hydroxy-6-methylbenzaldehyde Molecule
InChIKey YAGXJTGFNACZEO-UHFFFAOYSA-N Molecular Formula C12H16O2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- infrared absorption spectroscopy (IR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- electron ionisation mass spectrometry (EI-MS)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
-
4,5-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzene-1,2-diamine Molecule
InChIKey BJWWWFIVLMNXKL-UHFFFAOYSA-N Molecular Formula C58H62N4
Related Dataset(s)
-
4,5-dimethoxy-N-propan-2-yl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptad... Molecule
InChIKey VJUXHPAAXFEYKZ-UHFFFAOYSA-N Molecular Formula C19H20N4O2
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- fast-atom bombardment mass spectrometry (FABMS)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
- high resolution fast-atom bombardment mass spectrometry (HRFABMS)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
4-(1-benzyl-2-phenylindole-3-carbonyl)benzonitrile Molecule
InChIKey RUDRSGOJGUEFAA-UHFFFAOYSA-N Molecular Formula C29H20N2O
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- mass spectrometry (MS)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
-
4-(1H-indol-6-ylamino)-4-oxobutanoic acid Molecule
InChIKey QPAHTTFCCFCZPE-UHFFFAOYSA-N Molecular Formula C12H12N2O3
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- mass spectrometry (MS)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- infrared absorption spectroscopy (IR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
4-(2-aminoethyl)phenol Molecule
InChIKey DZGWFCGJZKJUFP-UHFFFAOYSA-N Molecular Formula C8H11NO
Related Dataset(s)
- Tyramine; LC-ESI-ITFT; MS; POS
- Tyramine; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
- Hydroxyphenethylamine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
- Tyramine; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
- TYRAMINE; LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Tyramine; LC-ESI-ITFT; MS2; m/z:138.09; POS
- Tyramine; LC-ESI-ITFT; MS; [M+H]+; isotope pattern
- Tyramine; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
- Tyramine; LC-ESI-ITFT; MS2; m/z:121.06; POS
- Tyramine; GC-EI-TOF; MS; 3 TMS; BP:73
- Hydroxyphenethylamine; LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
- Tyramine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
- Tyramine; LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
- 2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QQ; MS2
- Hydroxyphenethylamine; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
- TYRAMINE; LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
- Tyramine; LC-ESI-ITFT; MS2; m/z:308.09; POS
- Tyramine; LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
- 2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QQ; MS2
- Tyramine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Tyramine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V
- Tyramine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- 2-(4-Hydroxyphenyl)ethylamine, 4-(2-aminoethyl)phenol, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QTOF; MS2
- Tyramine; LC-ESI-ITFT; MS; POS
- Tyramine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V
- Tyramine; LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
- Hydroxyphenethylamine; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
- Tyramine; LC-ESI-ITFT; MS2; m/z:150.06; POS
- Tyramine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 40 V
- Tyramine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Tyramine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V
- Tyramine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V
- Tyramine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Tyramine; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
- Tyramine; EI-B; MS; n TMS; RT: 788.72 s
- Tyramine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V
- 2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QQ; MS2
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Tyramine; LC-ESI-QTOF; MS2
- Tyramine; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Hydroxyphenethylamine; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
- Tyramine; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- 2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QQ; MS2
- TYRAMINE; LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
- Tyramine; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Tyramine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Tyramine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V
- 4-(2 AMINOETHYL)-PHENOL; EI-B; MS
- Tyramine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Tyramine; LC-ESI-ITFT; MS2; m/z:121.06; POS
- Tyramine; LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
- Tyramine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- Tyramine; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- 2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QQ; MS2
- Tyramine; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
- Tyramine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Tyramine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V
- Tyramine; ESI-QQ; MS; POSITIVE
- 2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QQ; MS2
- Tyramine; LC-ESI-ITFT; MS2; m/z:138.09; POS
- Tyramine; LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Tyramine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
- Tyramine; GC-EI-TOF; MS; n TMS; RT:737.844 sec
- Tyramine; GC-EI-TOF; MS; 3 TMS; BP:174
-
4-(2-trimethylsilylethynyl)benzaldehyde Molecule
InChIKey UZQDUXAJFTWMDT-UHFFFAOYSA-N Molecular Formula C12H14OSi
Related Dataset(s)
