-
2-bromo-1-(3,4-dimethoxyphenyl)ethanone Molecule
InChIKey NUAIPKMBWNVQIM-UHFFFAOYSA-N Molecular Formula C10H11BrO3
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- correlation spectroscopy (COSY)
-
2-bromo-1-(3-bromophenyl)ethanone Molecule
InChIKey MZBXSQBQPJWECM-UHFFFAOYSA-N Molecular Formula C8H6Br2O
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
-
2-bromo-1-(4-fluoro-2-hydroxyphenyl)ethanone Molecule
InChIKey QWYCXHKZADAVSG-UHFFFAOYSA-N Molecular Formula C8H6BrFO2
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- infrared absorption spectroscopy (IR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- distortionless enhancement with polarization transfer (DEPT)
- electrospray ionisation quadrupole detection (ESI Q Trap)
- distortionless enhancement with polarization transfer (DEPT)
-
2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone Molecule
InChIKey XKYNUWXCDDWJFK-UHFFFAOYSA-N Molecular Formula C8H6BrFO2
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- correlation spectroscopy (COSY)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- electrospray ionisation quadrupole detection (ESI Q Trap)
-
2-bromo-1-(4-methoxyphenyl)ethanone Molecule
InChIKey XQJAHBHCLXUGEP-UHFFFAOYSA-N Molecular Formula C9H9BrO2
Related Dataset(s)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- mass spectrometry (MS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
2-bromo-1-(4-methylphenyl)ethanone Molecule
InChIKey KRVGXFREOJHJAX-UHFFFAOYSA-N Molecular Formula C9H9BrO
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- mass spectrometry (MS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
-
2-bromo-1-phenylethanone Molecule
InChIKey LIGACIXOYTUXAW-UHFFFAOYSA-N Molecular Formula C8H7BrO
Related Dataset(s)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
-
2-bromo-3-methylpyridine Molecule
InChIKey PZSISEFPCYMBDL-UHFFFAOYSA-N Molecular Formula C6H6BrN
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
-
2-bromo-5-methylpyridine Molecule
InChIKey YWNJQQNBJQUKME-UHFFFAOYSA-N Molecular Formula C6H6BrN
Related Dataset(s)
- correlation spectroscopy (COSY)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
-
2-bromo-6-iodopyridine Molecule
InChIKey KJOQMWRTNVBXEV-UHFFFAOYSA-N Molecular Formula C5H3BrIN
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
2-bromo-6-methylpyridine Molecule
InChIKey SOHDPICLICFSOP-UHFFFAOYSA-N Molecular Formula C6H6BrN
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- correlation spectroscopy (COSY)
-
2-bromonaphthalene Molecule
InChIKey APSMUYYLXZULMS-UHFFFAOYSA-N Molecular Formula C10H7Br
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
2-chloro-4-methyl-6-nitroaniline Molecule
InChIKey UGXUJYWOKLTNET-UHFFFAOYSA-N Molecular Formula C7H7ClN2O2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
-
2-chloro-6-nitro-4-(trifluoromethyl)aniline Molecule
InChIKey JLWRJMVXRUKFPA-UHFFFAOYSA-N Molecular Formula C7H4ClF3N2O2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
2-ethylhexan-1-ol Molecule
InChIKey YIWUKEYIRIRTPP-UHFFFAOYSA-N Molecular Formula C8H18O
Related Dataset(s)
- 2-ETHYL-1-HEXANOL; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 2-ETHYLHEXANOL; EI-B; MS
- 2-ETHYLHEXANOL; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
-
2-fluoro-3-iodopyridine Molecule
InChIKey WCDCAXVNBOLWNO-UHFFFAOYSA-N Molecular Formula C5H3FIN
Related Dataset(s)
- correlation spectroscopy (COSY)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
2-fluoropyridine Molecule
InChIKey MTAODLNXWYIKSO-UHFFFAOYSA-N Molecular Formula C5H4FN
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
-
2-formylbenzonitrile Molecule
InChIKey QVTPWONEVZJCCS-UHFFFAOYSA-N Molecular Formula C8H5NO
Related Dataset(s)
- ORTHO-CYANOBENZALDEHYDE; EI-B; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
-
2-hydroxy-2-[3-(trifluoromethyl)phenyl]propanoic acid Molecule
InChIKey XFZJIHDLEUDRJM-UHFFFAOYSA-N Molecular Formula C10H9F3O3
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
-
2-hydroxypropane-1,2,3-tricarboxylic acid Molecule
InChIKey KRKNYBCHXYNGOX-UHFFFAOYSA-N Molecular Formula C6H8O7
Related Dataset(s)
- Citric acid; GC-EI-Q; MS; POSITIVE; 4TBDMS-derivative
- Citric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Citric acid; LC-ESI-ITFT; MS2; m/z:191.02; NEG
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID; 15 V; 4 TMS-derivative; [M-15]+
- Citric acid; LC-ESI-QTOF; MS2; 60 V
- Citric acid (Not validated, isomer of 227); LC-ESI-QTOF; MS2
- Hydrocerol A, 2-Hydroxy-1,2,3-propanetricarboxylic acid, Citretten, 2-Hydroxypropanetricarboxylic Acid, citrate, Citro, Aciletten, Citric acid,Anhydrous, citr, Chemfill; LC-ESI-QQ; MS2
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid, 77-92-9[2]
- Citric acid; LC-ESI-ITFT; MS2; m/z:111.01; NEG
- Citric acid; LC-ESI-ITFT; MS; NEG
- Citric acid; LC-ESI-QTOF; MS2; 50 V
- Citric acid, 77-92-9[8]
- Citric acid; LC-ESI-QTOF; MS2; 20 V
- Citric acid, 77-92-9[6]
- Citric acid, 77-92-9[5]
- Citric acid; LC-ESI-QTOF; MS2; 50 V
- Citric acid; LC-ESI-QTOF; MS2; 70 V
- Citric acid; LC-ESI-QTOF; MS2; 110 V
- Citric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Citric acid; LC-ESI-ITFT; MS2; m/z:191.02; NEG
- Citric acid; LC-ESI-QTOF; MS2; 80 V
- Citric acid; LC-ESI-QTOF; MS2; 120 V
- Citric acid; LC-ESI-QTOF; MS2; 130 V
- Citric acid; LC-ESI-QTOF; MS2; 20 V
- Citric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Citric acid; LC-ESI-QTOF; MS2; 10 V
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; LC-ESI-QTOF; MS2; 140 V
- Citric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Citric acid (Not validated, isomer of 228); LC-ESI-QTOF; MS2
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:73
- Citric acid; LC-ESI-QTOF; MS2; 80 V
- Citric acid, 77-92-9[1]
- Citric acid; LC-ESI-QTOF; MS2; 90 V
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-207]+
- Citric acid, 77-92-9[7]
- Citric acid; LC-ESI-QTOF; MS2; 30 V
- Citric acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Citric acid, 77-92-9[4]
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-117]+
- Citric acid; LC-ESI-QTOF; MS2; 150 V
- Citric acid; LC-ESI-ITFT; MS; NEG
- Citric acid; LC-ESI-QTOF; MS2; 10 V
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; LC-ESI-QTOF; MS2; 60 V
- Citric acid; GC-EI-Q; MS; POSITIVE; 4 TMS-derivative
- Citric acid; LC-ESI-QTOF; MS2; 100 V
- Citric acid; LC-ESI-IT; MS2; m/z: 191.1; [M-H]-
- Citric acid; LC-ESI-QTOF; MS2; 90 V
- Citric acid; LC-ESI-QTOF; MS2; 30 V
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Citric acid; LC-ESI-QTOF; MS2; 70 V
- Citric acid, 77-92-9[3]
- Citric acid; GC-EI-TOF; MS; n TMS; RT:692.409 sec
- Hydrocerol A, 2-Hydroxy-1,2,3-propanetricarboxylic acid, Citretten, 2-Hydroxypropanetricarboxylic Acid, 2-hydroxypropane-1,2,3-tricarboxylic acid, citrate, Citro, Aciletten, Citric acid,Anhydrous, citr, Chemfill; LC-ESI-QTOF; MS2
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+
- Citric acid; LC-ESI-ITFT; MS2; m/z:111.01; NEG
