-
N-cyclohexyl-2-(1-pentylindol-3-yl)acetamide Molecule
InChIKey SYYOOLIGHZEOKJ-UHFFFAOYSA-N
Related Dataset(s)
-
N-methoxy-N-methylacetamide Molecule
InChIKey OYVXVLSZQHSNDK-UHFFFAOYSA-N Molecular Formula C4H9NO2
Related Dataset(s)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
N-methyl-1-(2-phenyl-1,3-thiazol-4-yl)methanamine Molecule
InChIKey UGRXAOUDHZOHPF-UHFFFAOYSA-N Molecular Formula C11H12N2S
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- heteronuclear multiple bond coherence (HMBC)
-
N-methylpyridin-2-amine Molecule
InChIKey SVEUVITYHIHZQE-UHFFFAOYSA-N Molecular Formula C6H8N2
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
-
N-phenyltetrazolo[1,5-a]quinoxalin-4-amine Molecule
InChIKey HEROYCYJPFRIST-UHFFFAOYSA-N Molecular Formula C14H10N6
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 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)
-
N-propan-2-yl-N-[(E)-(2-propan-2-ylpyrazol-3-yl)diazenyl]propan-2-amine Molecule
InChIKey GUKOAGUSPORKBW-CCEZHUSRSA-N Molecular Formula C12H23N5
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- infrared absorption spectroscopy (IR)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
-
N-propan-2-yl-N-[(E)-1H-pyrazol-5-yldiazenyl]propan-2-amine Molecule
InChIKey LKGAYQXGDXKVDA-OUKQBFOZSA-N Molecular Formula C9H17N5
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- infrared absorption spectroscopy (IR)
- heteronuclear single quantum coherence (HSQC)
-
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-h... Molecule
InChIKey RCINICONZNJXQF-MZXODVADSA-N Molecular Formula C47H51NO14
Related Dataset(s)
- Taxol; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
- Taxol 400/600 MHz in DMSOd6 NMR data.hmbc
- Taxol 400/600 MHz in DMSOd6 NMR data.2d
- Taxol 400/600 MHz in DMSOd6 NMR data.hsqc
- Taxol; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Taxol 400/600 MHz in DMSOd6 NMR data.2d
- Taxol 400/600 MHz in DMSOd6 NMR data[Taxol_2960ug200uL_DMSOd6_1HNMR_400MHz_Jeol.jdf]
- Taxol 400/600 MHz in DMSOd6 NMR data.
- Taxol 400/600 MHz in DMSOd6 NMR data.cosy
- Taxol 400/600 MHz in DMSOd6 NMR data.2d
- Taxol 400/600 MHz in DMSOd6 NMR data.1d
- Taxol 400/600 MHz in DMSOd6 NMR data[Taxol_2960ug200uL_DMSOd6_13CNMR_400MHz_Jeol.jdf]
- Taxol 400/600 MHz in DMSOd6 NMR data.1d
- Taxol 400/600 MHz in DMSOd6 NMR data.
-
[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl... Molecule
InChIKey WMBWREPUVVBILR-WIYYLYMNSA-N Molecular Formula C22H18O11
Related Dataset(s)
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate; LC-ESI-ITTOF; MS; [M+H]+
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_COSY_400MHz_Jeol.jdf]
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_HMBC_400MHz_Jeol.jdf]
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_HSQC_400MHz_JDX.jdx]
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_qHNMR_400MHz_Jeol.jdf]
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
- (-)-Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
- Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin gallate; LC-ESI-QTOF; MS
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_13CNMR_400MHz_Jeol.jdf]
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_qHNMR_400MHz_JDX.jdx]
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_HMBC_400MHz_JDX.jdx]
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_1HNMR_400MHz_Jeol.jdf]
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_HSQC_400MHz_Jeol.jdf]
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_1HNMR_400MHz_JDX.jdx]
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_COSY_400MHz_JDX.jdx]
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_13CNMR_400MHz_JDX.jdx]
- (-)-Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
-
[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S... Molecule
InChIKey UEDUENGHJMELGK-PKAZMRMBSA-N Molecular Formula C38H60O18
Related Dataset(s)
-
[1-(4-cyano-1H-pyrazol-5-yl)triazol-4-yl]methyl acetate Molecule
InChIKey QROBBVJEUOFHFJ-UHFFFAOYSA-N Molecular Formula C9H8N6O2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- infrared absorption spectroscopy (IR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- mass spectrometry (MS)
-
[1-(5-fluoropentyl)indol-3-yl]-(2-iodophenyl)methanone Molecule
InChIKey LFFIIZFINPPEMC-UHFFFAOYSA-N
Related Dataset(s)
-
[1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone Molecule
InChIKey IGBHZHCGWLHBAE-UHFFFAOYSA-N
Related Dataset(s)
-
[1-(5-methyl-1H-pyrazol-3-yl)triazol-4-yl]methyl acetate Molecule
InChIKey LUTGSYAMTQUJGA-UHFFFAOYSA-N Molecular Formula C9H11N5O2
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- mass spectrometry (MS)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
-
[1-[1-(2-chloro-4-nitrophenyl)-5-methylpyrazol-3-yl]triazol-4-yl]methyl acetate Molecule
InChIKey QIRBWRVTFHDFHS-UHFFFAOYSA-N Molecular Formula C15H13ClN6O4
Related Dataset(s)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- infrared absorption spectroscopy (IR)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
-
[1-[5-methyl-1-(4-nitrophenyl)pyrazol-3-yl]triazol-4-yl]methyl acetate Molecule
InChIKey GFUNAXVZSJSISA-UHFFFAOYSA-N Molecular Formula C15H14N6O4
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
[17-acetyloxy-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dode... Molecule
InChIKey VQQAAFHOPRDUNW-UHFFFAOYSA-N
Related Dataset(s)
- 9_SODXX_163_FULL_C19_OH_C3_C17_DI_OAc_07_12_2021-CP9[5]
- 9_SODXX_163_FULL_C19_OH_C3_C17_DI_OAc_07_12_2021-CP9[4]
- 9_SODXX_163_FULL_C19_OH_C3_C17_DI_OAc_07_12_2021-CP9[3]
- 9_SODXX_163_FULL_C19_OH_C3_C17_DI_OAc_07_12_2021-CP9.hsqc
- 9_SODXX_163_FULL_C19_OH_C3_C17_DI_OAc_07_12_2021-CP9.noesy
- 9_SODXX_163_FULL_C19_OH_C3_C17_DI_OAc_07_12_2021-CP9.hmbc
- 9_SODXX_163_FULL_C19_OH_C3_C17_DI_OAc_07_12_2021-CP9[1]
- 9_SODXX_163_FULL_C19_OH_C3_C17_DI_OAc_07_12_2021-CP9[2]
-
[2-(2-bromoacetyl)-3-hydroxyphenyl] acetate Molecule
InChIKey GHBMCQRVMQONSY-UHFFFAOYSA-N Molecular Formula C10H9BrO4
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- infrared absorption spectroscopy (IR)
- heteronuclear single quantum coherence (HSQC)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- heteronuclear multiple bond coherence (HMBC)
-
[3,5-bis[(4-azido-2,3,5,6-tetrafluorobenzoyl)oxy]phenyl] 4-azido-2,3,5,6-tetr... Molecule
InChIKey QPMRFIBNWHZVRL-UHFFFAOYSA-N Molecular Formula C27H3F12N9O6
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- electron ionisation mass spectrometry (EI-MS)
- heteronuclear single quantum coherence (HSQC)
- high-resolution mass spectrometry (HRMS)
- heteronuclear multiple bond coherence (HMBC)
- infrared absorption spectroscopy (IR)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
