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Ethyl (Z)-4-chloro-3-p-tolyl-2-oxo-3-butenoate

View entire compound with spectra: 1 MS (GC)

Ethyl (Z)-4-chloro-3-p-tolyl-2-oxo-3-butenoate
SpectraBase Compound ID o6DlR8ki5u
InChI InChI=1S/C13H13ClO3/c1-3-17-13(16)12(15)11(8-14)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3/b11-8-
InChIKey BTMBQHKIWJEEER-FLIBITNWSA-N
Mol Weight 252.7 g/mol
Molecular Formula C13H13ClO3
Exact Mass 252.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmgQWLF8igB
Name Ethyl (Z)-4-chloro-3-p-tolyl-2-oxo-3-butenoate
Alternate Name(s) Ethyl (3Z)-4-chloro-3-(4-methylphenyl)-2-oxo-3-butenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClO3
InChI InChI=1S/C13H13ClO3/c1-3-17-13(16)12(15)11(8-14)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3/b11-8-
InChIKey BTMBQHKIWJEEER-FLIBITNWSA-N
Molecular Weight 252.697 g/mol
SMILES C(\C(c1ccc(cc1)C)=C/Cl)(C(=O)OCC)=O
SPLASH splash10-0006-1900000000-e05f373b75c052cbb255
Source of Spectrum QE-11-3629-3
Wiley ID 1638821