-
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14... Molecule
InChIKey LPLVUJXQOOQHMX-QWBHMCJMSA-N Molecular Formula C42H62O16
Related Dataset(s)
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:70 eV; [M-H]-
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_1H_900.jdx]
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_1H.jdf]
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:60 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.
- Glycyrrhizic acid; LC-ESI-QTOF; MS
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.2d
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.hsqc
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_gCOSY.jdf]
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.cosy
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.2d
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.
- Glycyrrhizin; LC-ESI-ITTOF; MS; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.cosy
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.hmbc
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.roesy
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.hmbc
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.dept
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(2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex... Molecule
InChIKey DDUHZTYCFQRHIY-RBHXEPJQSA-N Molecular Formula C17H17ClO6
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
(2Z)-4-ethoxy-5-methyl-2-[(4-nitrophenyl)methylidene]-5H-1,3-thiazole Molecule
InChIKey MKZKXVUZVQMBSS-WQLSENKSSA-N Molecular Formula C13H14N2O3S
Related Dataset(s)
-
(2Z)-5-methyl-2-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one Molecule
InChIKey PGDGUAOXLLTZJC-POHAHGRESA-N Molecular Formula C11H10N2O3S
Related Dataset(s)
-
(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-methylcarbamate Molecule
InChIKey PIJVFDBKTWXHHD-UHFFFAOYSA-N Molecular Formula C15H21N3O2
Related Dataset(s)
- Eserine[12]
- Eserine.dept
- Eserine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Eserine[53]
- Eserine.dept
- Eserine[55]
- Eserine; LC-ESI-QTOF; MS; POSITIVE
- Eserine; LC-APCI-QTOF; MS; POSITIVE
- Eserine[51]
- Eserine.hsqc
- Eserine[59]
- Eserine[56]
- Eserine.1d
- Eserine.cosy
- Eserine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Eserine[54]
- Eserine[11]
- Eserine[57]
- Eserine.1d
- Eserine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Physostigmine; LC-ESI-QTOF; MS2
- Eserine[1057]
-
(3-acetyloxy-5-methylphenyl) acetate Molecule
InChIKey KDOYCAADBINREP-UHFFFAOYSA-N Molecular Formula C11H12O4
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- mass spectrometry (MS)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- correlation spectroscopy (COSY)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
(3-hydroxy-5-methylphenyl) acetate Molecule
InChIKey WNNFOAQKFKIJQP-UHFFFAOYSA-N Molecular Formula C9H10O3
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- mass spectrometry (MS)
-
(3-methyl-6,7-diphenylquinoxalin-2-yl)methyl-triphenylphosphanium;bromide Molecule
InChIKey RPLOTKMXWPILHZ-UHFFFAOYSA-M Molecular Formula C40H32BrN2P
Related Dataset(s)
-
(3-phenylphenyl)methanamine Molecule
InChIKey WKHABRRJMGVELW-UHFFFAOYSA-N Molecular Formula C13H13N
Related Dataset(s)
- 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)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
-
(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine Molecule
InChIKey DYDAVEMWGWFNJE-WAPOLKSXSA-N Molecular Formula C34H37NO5
Related Dataset(s)
-
(3S,5S,8R,9S,10S,13S)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-1,2,3,4... Molecule
InChIKey KZLZBBZTICQZFV-CMPHSYMRSA-N Molecular Formula C25H42O2Si
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- two-dimensional nuclear magnetic resonance spectroscopy (2D NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- high-resolution mass spectrometry (HRMS)
- two-dimensional nuclear magnetic resonance spectroscopy (2D NMR)
- infrared absorption spectroscopy (IR)
- two-dimensional nuclear magnetic resonance spectroscopy (2D NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,1... Molecule
InChIKey HCXVJBMSMIARIN-PHZDYDNGSA-N Molecular Formula C29H48O
Related Dataset(s)
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_qHNMR_3540ug200ul_CDCl3_400MHz.jdf]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[3_Stigmasterol_STIG02_13CdeptQ]
- STIGMASTEROL; EI-B; MS
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_13CNMR_CDCl3_400MHz.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_gCOSY.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_13CNMR_3540ug200ul_CDCl3_400MHz.jdf]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_13CdeptQ.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[4_Stigmasterol_STIG02_HSQC]
- STIGMASTEROL; EI-B; MS
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_1H.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[1_Stigmasterol_STIG02_1H]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_gHSQC.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[2_Stigmasterol_STIG02_gCOSY]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[5_Stigmasterol_STIG02_gHMBC]
- STIGMASTEROL; EI-B; MS
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_qHNMR_CDCl3_400MHz.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_HMBC.jdx]
- STIGMASTEROL; EI-B; MS
-
(4-acetyl-3-acetyloxyphenyl) acetate Molecule
InChIKey FKSHOQTWUWCWTG-UHFFFAOYSA-N Molecular Formula C12H12O5
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- mass spectrometry (MS)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
-
(4-chlorophenyl)methanamine Molecule
InChIKey YMVFJGSXZNNUDW-UHFFFAOYSA-N Molecular Formula C7H8ClN
Related Dataset(s)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
(4-methoxyphenyl)boronic acid Molecule
InChIKey VOAAEKKFGLPLLU-UHFFFAOYSA-N Molecular Formula C7H9BO3
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 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)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
(4-methoxyphenyl)methyl 6-bromo-1-[(4-methoxyphenyl)methyl]indole-4-carboxylate Molecule
InChIKey AQASDUWYMYHQGN-UHFFFAOYSA-N Molecular Formula C25H22BrNO4
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 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)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- mass spectrometry (MS)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
(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-nitrophenyl)methanethiol Molecule
InChIKey ACFHLWCEZHYYKX-UHFFFAOYSA-N
Related Dataset(s)
-
(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)
-
(4-phosphonophenyl)phosphonic acid Molecule
InChIKey JHDJUJAFXNIIIW-UHFFFAOYSA-N Molecular Formula C6H8O6P2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- 31P nuclear magnetic resonance spectroscopy (31P NMR)
- electrospray ionisation mass spectrometry (ESMS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
