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1H-Indole-3-acetic acid, 1-acetyl-, methyl ester
SpectraBase Compound ID 6GcH5mnBooK
InChI InChI=1S/C13H13NO3/c1-9(15)14-8-10(7-13(16)17-2)11-5-3-4-6-12(11)14/h3-6,8H,7H2,1-2H3
InChIKey SRIBLLYYOKTWMS-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75b3Fy4PygO
Name 1H-Indole-3-acetic acid, 1-acetyl-, methyl ester
CAS Registry Number 55191-22-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c1-9(15)14-8-10(7-13(16)17-2)11-5-3-4-6-12(11)14/h3-6,8H,7H2,1-2H3
InChIKey SRIBLLYYOKTWMS-UHFFFAOYSA-N
Molecular Weight 231.251 g/mol
SMILES c1[n](c2c(c1CC(=O)OC)cccc2)C(=O)C
SPLASH splash10-001i-0920000000-7c6a1c7562414b485ecb
Source of Spectrum SO-0-701-4
Synonyms 2-(1-acetyl-3-indolyl)acetic acid methyl ester Methyl (1-acetyl-1H-indol-3-yl)acetate 2-(1-acetylindol-3-yl)acetic acid methyl ester Methyl 2-(1-acetylindol-3-yl)acetate Methyl 2-(1-ethanoylindol-3-yl)ethanoate
Wiley ID 1542339