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2-(3-methylbutanoyl)-1H-indole-3-carboxylic acid
SpectraBase Compound ID DHpxjiQINVx
InChI InChI=1S/C14H15NO3/c1-8(2)7-11(16)13-12(14(17)18)9-5-3-4-6-10(9)15-13/h3-6,8,15H,7H2,1-2H3,(H,17,18)
InChIKey JECAJLDNVBQRKN-UHFFFAOYSA-N
Mol Weight 245.28 g/mol
Molecular Formula C14H15NO3
Exact Mass 245.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CJ2eD3N0Eo
Name 2-(3-Methylbutanoyl)-1H-indole-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO3
InChI InChI=1S/C14H15NO3/c1-8(2)7-11(16)13-12(14(17)18)9-5-3-4-6-10(9)15-13/h3-6,8,15H,7H2,1-2H3,(H,17,18)
InChIKey JECAJLDNVBQRKN-UHFFFAOYSA-N
Molecular Weight 245.278 g/mol
SMILES [nH]1c2ccccc2c(C(=O)O)c1C(CC(C)C)=O
SPLASH splash10-03km-2930000000-060db34d9156ec5529d2
Synonyms 2-(3-Methyl-1-oxobutyl)-1H-indole-3-carboxylic acid 2-isovaleryl-1H-indole-3-carboxylic acid
Wiley ID 1450331