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(1E)-3-(4-Methylphenyl)-3-oxo-1-propenyl 4-chlorobenzoate
SpectraBase Compound ID B5QIKuLqNYB
InChI InChI=1S/C17H13ClO3/c1-12-2-4-13(5-3-12)16(19)10-11-21-17(20)14-6-8-15(18)9-7-14/h2-11H,1H3/b11-10+
InChIKey RJYYEXWYEVAJPL-ZHACJKMWSA-N
Mol Weight 300.74 g/mol
Molecular Formula C17H13ClO3
Exact Mass 300.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2WvpkF3gmJ
Name (1E)-3-(4-Methylphenyl)-3-oxo-1-propenyl 4-chlorobenzoate
Alternate Name(s) Benzoic acid, 4-chloro-, 3-(4-methylphenyl)-3-oxo-1-propenyl ester 4-Chlorobenzoic acid [(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl] ester [(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl] 4-chlorobenzoate [(E)-3-oxo-3-(p-tolyl)prop-1-enyl] 4-chlorobenzoate [(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl] 4-chloranylbenzoate
CAS Registry Number 276880-78-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClO3
InChI InChI=1S/C17H13ClO3/c1-12-2-4-13(5-3-12)16(19)10-11-21-17(20)14-6-8-15(18)9-7-14/h2-11H,1H3/b11-10+
InChIKey RJYYEXWYEVAJPL-ZHACJKMWSA-N
Molecular Weight 300.741 g/mol
SMILES C(c1ccc(cc1)Cl)(=O)O\C=C\C(c1ccc(cc1)C)=O
SPLASH splash10-000i-2900000000-62005dc76915eeab1389
Source of Spectrum AD-0-2532-0
Wiley ID 1422957