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1H-Indole-3-propanoic acid, .alpha.-cyano-.alpha.-(2-oxopropyl)-, ethyl ester, (.+-.)-
SpectraBase Compound ID epxuGLgE9H
InChI InChI=1S/C17H18N2O3/c1-3-22-16(21)17(11-18,8-12(2)20)9-13-10-19-15-7-5-4-6-14(13)15/h4-7,10,19H,3,8-9H2,1-2H3
InChIKey MOWREBVABXBGCX-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C17H18N2O3
Exact Mass 298.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcQoU2OsOYh
Name 1H-Indole-3-propanoic acid, .alpha.-cyano-.alpha.-(2-oxopropyl)-, ethyl ester, (.+-.)-
CAS Registry Number 131920-06-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2O3
InChI InChI=1S/C17H18N2O3/c1-3-22-16(21)17(11-18,8-12(2)20)9-13-10-19-15-7-5-4-6-14(13)15/h4-7,10,19H,3,8-9H2,1-2H3
InChIKey MOWREBVABXBGCX-UHFFFAOYSA-N
Molecular Weight 298.342 g/mol
SMILES [nH]1c2c(c(c1)CC(C(=O)OCC)(C#N)CC(=O)C)cccc2
SPLASH splash10-001i-2910000000-45db7c0d2870942f8edc
Source of Spectrum F-46-2950-4
Synonyms 4-Cyano-4-ethoxycarbonyl-5-(3-indolyl)pentan-2-one Ethyl 2-cyano-2-(1H-indol-3-ylmethyl)-4-oxopentanoate
Wiley ID 1300991