-
1-bromoanthracene-9,10-dione Molecule
InChIKey CXTPIHZYOGDSLV-UHFFFAOYSA-N Molecular Formula C14H7BrO2
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- 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)
- correlation spectroscopy (COSY)
-
1-bromoazepan-2-one Molecule
InChIKey GJNCXCPHNRATIQ-UHFFFAOYSA-N Molecular Formula C6H10BrNO
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- electron ionisation mass spectrometry (EI-MS)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
-
1-bromonaphthalene Molecule
InChIKey DLKQHBOKULLWDQ-UHFFFAOYSA-N Molecular Formula C10H7Br
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1-BROMONAPHTHALENE; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- 1-BROMONAPHTHALENE; EI-B; MS
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
-
1-bromopyrrolidine-2,5-dione Molecule
InChIKey PCLIMKBDDGJMGD-UHFFFAOYSA-N Molecular Formula C4H4BrNO2
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- N-BROMOSUCCINIMIDE; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
1-chloro-3,5-dimethylbenzene Molecule
InChIKey FKKLHLZFSZGXBN-UHFFFAOYSA-N Molecular Formula C8H9Cl
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
-
1-chloro-4-(methoxymethoxy)-5-methyl-2-propan-2-ylbenzene Molecule
InChIKey LRPMRIMIWRGLKI-UHFFFAOYSA-N Molecular Formula C12H17ClO2
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
1-dimethoxyphosphoryl-3-fluorobenzene Molecule
InChIKey QEFKCPWDVHVOQC-UHFFFAOYSA-N Molecular Formula C8H10FO3P
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- 31P nuclear magnetic resonance spectroscopy (31P NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- electron ionisation mass spectrometry (EI-MS)
- infrared absorption spectroscopy (IR)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
-
1-dimethoxyphosphoryl-4-methoxybenzene Molecule
InChIKey OPDVSBXFRVFBFU-UHFFFAOYSA-N Molecular Formula C9H13O4P
Related Dataset(s)
-
1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid Molecule
InChIKey MHWLWQUZZRMNGJ-UHFFFAOYSA-N Molecular Formula C12H12N2O3
Related Dataset(s)
- Nalidixic acid, 389-08-2[6]
- Nalidixic acid; LC-ESI-IT; MS3; m/z: 233/205; [M+H]+
- Nalidixic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Nalidixic acid, 389-08-2[4]
- Nalidixic acid, 389-08-2[3]
- Nalidixic acid; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- Nalidixic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Nalidixic acid, 389-08-2[1]
- Nalidixic acid; LC-ESI-IT; MS2; m/z: 233; [M+H]+
- Nalidixic acid, 389-08-2[5]
- Nalidixic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Nalidixic acid; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Nalidixic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Nalidixic acid, 389-08-2[2]
- Nalidixic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
-
1-fluoro-3,5-dimethylbenzene Molecule
InChIKey RCWIWNUVHNAUQC-UHFFFAOYSA-N Molecular Formula C8H9F
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
-
1-hepta-1,6-diynyl-2-phenoxybenzene Molecule
InChIKey KCKMKKGDKVEJAO-UHFFFAOYSA-N Molecular Formula C19H16O
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- heteronuclear single quantum coherence (HSQC)
- infrared absorption spectroscopy (IR)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
1-hydroxyanthracene-9,10-dione Molecule
InChIKey BTLXPCBPYBNQNR-UHFFFAOYSA-N Molecular Formula C14H8O3
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1-Hydroxyanthraquinone; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
- 1-Hydroxyanthraquinone; APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1-Hydroxyanthraquinone; APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- 1-Hydroxyanthraquinone; ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- 1-Hydroxyanthraquinone; ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
-
1-iodo-2-phenoxybenzene Molecule
InChIKey AOZLGVLVAJRLPS-UHFFFAOYSA-N Molecular Formula C12H9IO
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- infrared absorption spectroscopy (IR)
- mass spectrometry (MS)
- 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)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
-
1-iodo-3,5-dimethylbenzene Molecule
InChIKey ZLMKEENUYIUKKC-UHFFFAOYSA-N Molecular Formula C8H9I
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
-
1-methoxy-1lambda3,2-benziodoxol-3-one Molecule
InChIKey LUERUKOXOOMVNM-UHFFFAOYSA-N Molecular Formula C8H7IO3
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- electron ionisation mass spectrometry (EI-MS)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- infrared absorption spectroscopy (IR)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
-
1-methoxy-4-[(E)-prop-1-enyl]benzene Molecule
InChIKey RUVINXPYWBROJD-ONEGZZNKSA-N Molecular Formula C10H12O
Related Dataset(s)
-
1-methoxy-4-prop-2-enylbenzene Molecule
InChIKey ZFMSMUAANRJZFM-UHFFFAOYSA-N Molecular Formula C10H12O
Related Dataset(s)
- 140-67-0[1h.dx]
- 140-67-0[1h.fid.dx]
- Classics_Estragole[2]
- 140-67-0[hmbc.dx]
- P-ALLYL ANISOLE; EI-B; MS
- Classics_Estragole[3]
- 140-67-0[hsqc.ser.dx]
- 140-67-0[hmbc.ser.dx]
- Classics_Estragole[1]
- 4-ALLYLANISOLE; EI-B; MS
- 4-ALLYLANISOLE; EI-B; MS
- Estragole; ESI-QTOF; MS2; CE: 20; [M+H]+
- 140-67-0[dept135.dx]
- 140-67-0.hsqc
- 140-67-0.dept135
- Classics_Estragole[4]
- 140-67-0[13c.dx]
- 140-67-0[cosy.dx]
- 140-67-0[13c.fid.dx]
- Classics_Estragole[5]
- Estragole; ESI-QTOF; MS2; CE: 10; [M+H]+
- 140-67-0[cosy.ser.dx]
- Classics_Estragole[6]
-
1-methyl-4-prop-1-en-2-ylcyclohexene Molecule
InChIKey XMGQYMWWDOXHJM-UHFFFAOYSA-N Molecular Formula C10H16
Related Dataset(s)
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_HSQC_400MHz_JDX.jdx]
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_qHNMR_400MHz_Jeol.jdf]
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_COSY_400MHz_JDX.jdx]
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_HMBC_400MHz_Jeol.jdf]
- 1-METHYL-4-ISOPROPENYLCYCLOHEXENE; EI-B; MS
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_HMBC_400MHz_JDX.jdx]
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_COSY_400MHz_Jeol.jdf]
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_13CNMR_400MHz_JDX.jdx]
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_qHNMR_400MHz_JDX.jdx]
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_13CNMR_400MHz_Jeol.jdf]
-
1-methyl-4-propan-2-ylbenzene Molecule
InChIKey HFPZCAJZSCWRBC-UHFFFAOYSA-N Molecular Formula C10H14
Related Dataset(s)
- P-CYMENE; EI-B; MS
- PARA-CYMENE; EI-B; MS
- p-Cymene 400 MHz in CDCl3 NMR data.hsqc
- p-Cymene 400 MHz in CDCl3 NMR data[ParaCymene_8140ug200uL_CDCl3_qHNMR_400MHz_Jeol.jdf]
- p-Cymene 400 MHz in CDCl3 NMR data.cosy
- p-Cymene 400 MHz in CDCl3 NMR data[ParaCymene_8140ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- 1-ISOPROPYL-4-METHYLBENZENE; EI-B; MS
- 4-METHYL-1-ISOPROPYLBENZENE; CI-B; MS
- p-Cymene 400 MHz in CDCl3 NMR data[ParaCymene_8140ug200uL_CDCl3_13CNMR_400MHz_Jeol.jdf]
- p-Cymene 400 MHz in CDCl3 NMR data.2d
- p-Cymene 400 MHz in CDCl3 NMR data[ParaCymene_8140ug200uL_CDCl3_13CNMR_400MHz_JDX.jdx]
- p-Cymene 400 MHz in CDCl3 NMR data[ParaCymene_8140ug200uL_CDCl3_qHNMR_400MHz_JDX.jdx]
- p-Cymene 400 MHz in CDCl3 NMR data[ParaCymene_8140ug200uL_CDCl3_COSY_400MHz_Jeol.jdf]
- p-Cymene 400 MHz in CDCl3 NMR data[ParaCymene_8140ug200uL_CDCl3_HMBC_400MHz_JDX.jdx]
-
1-phenyl-4-propan-2-ylimidazo[1,2-a]quinoxaline Molecule
InChIKey BHEXWVNDDWQKFM-UHFFFAOYSA-N Molecular Formula C19H17N3
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- mass spectrometry (MS)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- infrared absorption spectroscopy (IR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
