Debug Info

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ADkHRaQ2xTo
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ADkHRaQ2xTo
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1H-Indole-3-butanoic acid, .alpha.-methyl-, methyl ester, (R)-
SpectraBase Compound ID FI4Fe9GTYjk
InChI InChI=1S/C14H17NO2/c1-10(14(16)17-2)7-8-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,15H,7-8H2,1-2H3
InChIKey OSINFMIOMWBGDS-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADkHRaQ2xTo
Name 1H-Indole-3-butanoic acid, .alpha.-methyl-, methyl ester, (R)-
CAS Registry Number 97399-93-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c1-10(14(16)17-2)7-8-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,15H,7-8H2,1-2H3
InChIKey OSINFMIOMWBGDS-UHFFFAOYSA-N
Molecular Weight 231.295 g/mol
SMILES [nH]1c2c(c(c1)CCC(C(=O)OC)C)cccc2
SPLASH splash10-001i-0940000000-48c9bc5c7498ee6428b8
Source of Spectrum KC-1990-2054-19
Synonyms (-)-Methyl 2-methyl-4-(indol-3-yl)butyrate 4-(1H-Indol-3-yl)-2-methyl-butyric acid methyl ester Methyl 4-(1H-indol-3-yl)-2-methylbutanoate Methyl 4-(indol-3'-yl)-2-methylbutanoate paniculidine-A
Wiley ID 1232920
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