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Methyl 2-(4-chlorobenzoyl)pent-4-ynoate
SpectraBase Compound ID I3aXvnjVHcM
InChI InChI=1S/C13H11ClO3/c1-3-4-11(13(16)17-2)12(15)9-5-7-10(14)8-6-9/h1,5-8,11H,4H2,2H3
InChIKey DWBFNOUSRPKWCA-UHFFFAOYSA-N
Mol Weight 250.68 g/mol
Molecular Formula C13H11ClO3
Exact Mass 250.039672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ffy2n4A9pbl
Name Methyl 2-(4-chlorobenzoyl)pent-4-ynoate
Alternate Name(s) 2-[(4-chlorophenyl)-oxomethyl]-4-pentynoic acid methyl ester Methyl 2-(4-chlorophenyl)carbonylpent-4-ynoate
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Formula C13H11ClO3
InChI InChI=1S/C13H11ClO3/c1-3-4-11(13(16)17-2)12(15)9-5-7-10(14)8-6-9/h1,5-8,11H,4H2,2H3
InChIKey DWBFNOUSRPKWCA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000005
Molecular Weight 250.681 g/mol
SMILES COC(=O)C(CC#C)C(=O)c1ccc(cc1)Cl
SPLASH splash10-01p9-0900000000-8286efe261503309c7e1
Source of Spectrum ASC-352-1163/SM4-2g
Wiley ID 1764427