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(1-benzyl-2-phenylindol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanone Molecule
InChIKey JSFGZCLKZHTGQA-UHFFFAOYSA-N Molecular Formula C28H16F5NO
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- ultraviolet-visible spectrophotometry (UV-VIS)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- diffraction method (crystallography)
- infrared absorption spectroscopy (IR)
- mass spectrometry (MS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
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(1-benzyl-2-phenylindol-3-yl)-[4-(trifluoromethyl)phenyl]methanone Molecule
InChIKey UWXZJIWLWRKQHS-UHFFFAOYSA-N Molecular Formula C29H20F3NO
Related Dataset(s)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- mass spectrometry (MS)
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(1-quinoxalin-2-yltriazol-4-yl)methanol Molecule
InChIKey YEBFONFGCJEMAG-UHFFFAOYSA-N Molecular Formula C11H9N5O
Related Dataset(s)
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(1-quinoxalin-2-yltriazol-4-yl)methyl acetate Molecule
InChIKey DGJCBVVQEVQILV-UHFFFAOYSA-N Molecular Formula C13H11N5O2
Related Dataset(s)
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(1-quinoxalin-2-yltriazol-4-yl)methyl prop-2-enoate Molecule
InChIKey XJHPHMLSCVFADT-UHFFFAOYSA-N Molecular Formula C14H11N5O2
Related Dataset(s)
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(2,2-dimethylchromen-6-yl)methanol Molecule
InChIKey QNBPDVUHGIPLIS-UHFFFAOYSA-N Molecular Formula C12H14O2
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
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(2-acetyl-3-acetyloxyphenyl) acetate Molecule
InChIKey BQSKGNHSFVZDGZ-UHFFFAOYSA-N Molecular Formula C12H12O5
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- mass spectrometry (MS)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
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(2-aminophenyl)-pyridin-4-ylmethanone Molecule
InChIKey MOPYXHGIWARXCY-UHFFFAOYSA-N Molecular Formula C12H10N2O
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- electron ionisation mass spectrometry (EI-MS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
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(2-formyl-3,5-dihydroxyphenyl) benzoate Molecule
InChIKey NQGFNZGQTUVDDL-UHFFFAOYSA-N Molecular Formula C14H10O5
Related Dataset(s)
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(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-prop-2-enoxypentanoic acid Molecule
InChIKey LRBARFFNYOKIAX-HXUWFJFHSA-N Molecular Formula C23H23NO6
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 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)
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(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(prop-2-enoxycarbonylamino)hex... Molecule
InChIKey OJBNDXHENJDCBA-JOCHJYFZSA-N Molecular Formula C25H28N2O6
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear correlation spectroscopy (1H-13C COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
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(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid Molecule
InChIKey VCFCFPNRQDANPN-LJQANCHMSA-N Molecular Formula C21H23NO4
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
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(2R)-6-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]-2-(9H-fluoren-9-... Molecule
InChIKey ZPSRBXWVBNVFTO-RUZDIDTESA-N Molecular Formula C31H36N2O6
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 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)
- 1H--1H correlation spectroscopy (1H-1H COSY)
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(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol Molecule
InChIKey BPHPUYQFMNQIOC-NXRLNHOXSA-N Molecular Formula C9H18O5S
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 nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
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(2S)-2-amino-3-hydroxypropanoic acid Molecule
InChIKey MTCFGRXMJLQNBG-REOHCLBHSA-N Molecular Formula C3H7NO3
Related Dataset(s)
- L-Serine; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.04; NEG
- L-Serine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- 1H--1H correlation spectroscopy (1H-1H COSY)
- L-Serine; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.04; NEG
- L-Serine; GC-EI-TOF; MS; 3 TMS; n TMS; RT:472.656 sec
- L-Serine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- L-Serine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:73
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- L-Serine; LC-ESI-ITFT; MS2; m/z:106.05; POS
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- L-Serine; CE-ESI-TOF; MS; [M+H]+
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:204
- L-Serine; GC-EI-QQ; MS; 3 TBDMS; RT:760.32 sec
- L-Serine; EI-B; MS; 2 TMS; RT: 440.66 s
- L-Serine; LC-ESI-ITFT; MS; POS
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- L-Serine; EI-B; MS; 3 TMS; RT: 506.89 s
- L-Serine; LC-ESI-ITFT; MS2; m/z:106.05; POS
- L-Serine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- L-Serine; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
- L-Serine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- L-Serine; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.07; POS
- distortionless enhancement with polarization transfer (DEPT)
- L-Serine; GC-EI-TOF; MS; 2 TMS; n TMS; RT:416.207 sec
- L-Serine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:204
- L-Serine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- L-Serine; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
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(2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-(hydroxymethyl)-4-phenylmethoxyoxane-3,5-diol Molecule
InChIKey QZYDYKUQPIMRSF-ZSAUSMIDSA-N Molecular Formula C15H22O5S
Related Dataset(s)
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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)
- heteronuclear single quantum coherence (HSQC)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
- correlation spectroscopy (COSY)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
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(2Z)-4-ethoxy-5-methyl-2-[(4-nitrophenyl)methylidene]-5H-1,3-thiazole Molecule
InChIKey MKZKXVUZVQMBSS-WQLSENKSSA-N Molecular Formula C13H14N2O3S
Related Dataset(s)
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(2Z)-5-methyl-2-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one Molecule
InChIKey PGDGUAOXLLTZJC-POHAHGRESA-N Molecular Formula C11H10N2O3S
Related Dataset(s)
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(3-acetyloxy-5-methylphenyl) acetate Molecule
InChIKey KDOYCAADBINREP-UHFFFAOYSA-N Molecular Formula C11H12O4
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 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)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- mass spectrometry (MS)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
