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2-Butenoic acid, 4-[(2-chlorophenyl)(2-cyanoethyl)amino]-4-oxo-, (Z)-
SpectraBase Compound ID D59NsqOIda5
InChI InChI=1S/C13H11ClN2O3/c14-10-4-1-2-5-11(10)16(9-3-8-15)12(17)6-7-13(18)19/h1-2,4-7H,3,9H2,(H,18,19)/b7-6-
InChIKey NWQUNJAODRBPGW-SREVYHEPSA-N
Mol Weight 278.69 g/mol
Molecular Formula C13H11ClN2O3
Exact Mass 278.04582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48jBhPhexYI
Name 2-Butenoic acid, 4-[(2-chlorophenyl)(2-cyanoethyl)amino]-4-oxo-, (Z)-
CAS Registry Number 104086-50-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11ClN2O3
InChI InChI=1S/C13H11ClN2O3/c14-10-4-1-2-5-11(10)16(9-3-8-15)12(17)6-7-13(18)19/h1-2,4-7H,3,9H2,(H,18,19)/b7-6-
InChIKey NWQUNJAODRBPGW-SREVYHEPSA-N
Molecular Weight 278.695 g/mol
SMILES OC(\C=C/C(N(c1c(Cl)cccc1)CCC#N)=O)=O
SPLASH splash10-0006-3920000000-f7dcc512bf0e03830ca9
Source of Spectrum Y-22-1515-0
Synonyms (Z)-4-[(2-chlorophenyl)-(2-cyanoethyl)amino]-4-oxidanylidene-but-2-enoic acid (Z)-4-[2-chloro-N-(2-cyanoethyl)anilino]-4-keto-but-2-enoic acid (Z)-4-[2-chloro-N-(2-cyanoethyl)anilino]-4-oxo-2-butenoic acid (Z)-4-[2-chloro-N-(2-cyanoethyl)anilino]-4-oxo-but-2-enoic acid
Wiley ID 1281632