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Ethyl (4Z)-5-(4-chlorophenyl)-2,2-diethyl-3-oxo-4-pentenoate
SpectraBase Compound ID GucmsYuWn2G
InChI InChI=1S/C17H21ClO3/c1-4-17(5-2,16(20)21-6-3)15(19)12-9-13-7-10-14(18)11-8-13/h7-12H,4-6H2,1-3H3/b12-9-
InChIKey QPXVRISISDCWOA-XFXZXTDPSA-N
Mol Weight 308.81 g/mol
Molecular Formula C17H21ClO3
Exact Mass 308.117922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jDEFoGtTqS
Name Ethyl (4Z)-5-(4-chlorophenyl)-2,2-diethyl-3-oxo-4-pentenoate
CAS Registry Number 302941-29-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21ClO3
InChI InChI=1S/C17H21ClO3/c1-4-17(5-2,16(20)21-6-3)15(19)12-9-13-7-10-14(18)11-8-13/h7-12H,4-6H2,1-3H3/b12-9-
InChIKey QPXVRISISDCWOA-XFXZXTDPSA-N
Molecular Weight 308.805 g/mol
SMILES C(C(=O)OCC)(C(\C=C/c1ccc(cc1)Cl)=O)(CC)CC
SPLASH splash10-014i-2900000000-5984a3e7e343378558dc
Source of Spectrum AD-0-2532-0
Synonyms (Z)-5-(4-chlorophenyl)-2,2-diethyl-3-keto-pent-4-enoic acid ethyl ester (Z)-5-(4-chlorophenyl)-2,2-diethyl-3-oxo-4-pentenoic acid ethyl ester 4-Pentenoic acid, 5-(4-chlorophenyl)-2,2-diethyl-3-oxo-, ethyl ester Ethyl (Z)-5-(4-chlorophenyl)-2,2-diethyl-3-oxidanylidene-pent-4-enoate Ethyl (Z)-5-(4-chlorophenyl)-2,2-diethyl-3-oxo-pent-4-enoate
Wiley ID 1432572