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1H-Indole-3-propanoic acid, .alpha.-cyano-5-(phenylmethoxy)-, ethyl ester, (.+-.)-
SpectraBase Compound ID 5tzJ4BzzCLA
InChI InChI=1S/C21H20N2O3/c1-2-25-21(24)16(12-22)10-17-13-23-20-9-8-18(11-19(17)20)26-14-15-6-4-3-5-7-15/h3-9,11,13,16,23H,2,10,14H2,1H3
InChIKey NYMPWRMQEJOFSU-UHFFFAOYSA-N
Mol Weight 348.4 g/mol
Molecular Formula C21H20N2O3
Exact Mass 348.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TlvFsQfzov
Name 1H-Indole-3-propanoic acid, .alpha.-cyano-5-(phenylmethoxy)-, ethyl ester, (.+-.)-
Alternate Name(s) Ethyl 3-(5-benzyloxy-3-indolyl)-2-cyanopropanoate Ethyl 3-[5-(benzyloxy)-1H-indol-3-yl]-2-cyanopropanoate
CAS Registry Number 131920-21-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O3
InChI InChI=1S/C21H20N2O3/c1-2-25-21(24)16(12-22)10-17-13-23-20-9-8-18(11-19(17)20)26-14-15-6-4-3-5-7-15/h3-9,11,13,16,23H,2,10,14H2,1H3
InChIKey NYMPWRMQEJOFSU-UHFFFAOYSA-N
Molecular Weight 348.402 g/mol
SMILES [nH]1c2c(c(c1)CC(C(=O)OCC)C#N)cc(cc2)OCc1ccccc1
SPLASH splash10-056y-9031000000-60de3a7a4699ba5b8f39
Source of Spectrum F-46-2960-0
Wiley ID 1340775