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Indole-2-butyric acid, methyl ester

View entire compound with spectra: 2 MS (GC)

Indole-2-butyric acid, methyl ester
SpectraBase Compound ID JiqB7TdCk5B
InChI InChI=1S/C13H15NO2/c1-16-13(15)8-4-6-11-9-10-5-2-3-7-12(10)14-11/h2-3,5,7,9,14H,4,6,8H2,1H3
InChIKey GHQNBSPRKLUEKB-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qi9eKB7KDD
Name Indole-2-butyric acid, methyl ester
CAS Registry Number 28093-53-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-16-13(15)8-4-6-11-9-10-5-2-3-7-12(10)14-11/h2-3,5,7,9,14H,4,6,8H2,1H3
InChIKey GHQNBSPRKLUEKB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505283
Molecular Weight 217.268 g/mol
SMILES [nH]1c2ccccc2cc1CCCC(=O)OC
SPLASH splash10-0aor-0920000000-a984ae1006488adac6f3
Source of Spectrum ASC-348-715/SM5-3g
Synonyms Methyl 4-(1H-indol-2-yl)butanoate 4-(1H-indol-2-yl)butanoic acid methyl ester 4-(1H-indol-2-yl)butyric acid methyl ester Methyl 4-(indol-2-yl)butanoate
Wiley ID 1765145