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1H-Indole-3-butanoic acid, .beta.-oxo-1-(phenylmethyl)-, methyl ester
SpectraBase Compound ID 87UQDTjg5cO
InChI InChI=1S/C20H19NO3/c1-24-20(23)12-17(22)11-16-14-21(13-15-7-3-2-4-8-15)19-10-6-5-9-18(16)19/h2-10,14H,11-13H2,1H3
InChIKey KDFUQKRTFHLKPZ-UHFFFAOYSA-N
Mol Weight 321.38 g/mol
Molecular Formula C20H19NO3
Exact Mass 321.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvJ5XecS4er
Name 1H-Indole-3-butanoic acid, .beta.-oxo-1-(phenylmethyl)-, methyl ester
CAS Registry Number 104819-29-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO3
InChI InChI=1S/C20H19NO3/c1-24-20(23)12-17(22)11-16-14-21(13-15-7-3-2-4-8-15)19-10-6-5-9-18(16)19/h2-10,14H,11-13H2,1H3
InChIKey KDFUQKRTFHLKPZ-UHFFFAOYSA-N
Molecular Weight 321.376 g/mol
SMILES c1[n](c2c(c1CC(CC(=O)OC)=O)cccc2)Cc1ccccc1
SPLASH splash10-0006-9040000000-c7565d5440e63b93374e
Source of Spectrum F-41-5233-13
Synonyms Methyl 4-(1-benzyl-1H-indol-3-yl)-3-oxobutanoate Methyl 4-(1-benzylindol-3-yl)-3-oxobutanoate
Wiley ID 1321053