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2-Propenoic acid, 3-[4-[3-chloro-3-oxo-1-propen-1-yl]phenyl]-, 5-methylheptyl ester
SpectraBase Compound ID 3Ry5keaOCqX
InChI InChI=1S/C20H25ClO3/c1-3-16(2)6-4-5-15-24-20(23)14-12-18-9-7-17(8-10-18)11-13-19(21)22/h7-14,16H,3-6,15H2,1-2H3/b13-11+,14-12+
InChIKey DXNYSYNYLUVYKS-PHEQNACWSA-N
Mol Weight 348.87 g/mol
Molecular Formula C20H25ClO3
Exact Mass 348.149222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4u7SgCHX9OK
Name 2-Propenoic acid, 3-[4-[3-chloro-3-oxo-1-propen-1-yl]phenyl]-, 5-methylheptyl ester
Alternate Name(s) 5-Methylheptyl 3-(4-(3-chloro-3-oxoprop-1-en-1-yl)phenyl)acrylate 3-[4-[3-chloro-3-oxoprop-1-enyl]phenyl]-2-propenoic acid 5-methylheptyl ester 5-Methylheptyl 3-[4-[3-chloro-3-oxoprop-1-enyl]phenyl]prop-2-enoate 5-Methylheptyl 3-[4-[3-chloro-3-oxo-prop-1-enyl]phenyl]prop-2-enoate 5-Methylheptyl 3-[4-[3-chloranyl-3-oxidanylidene-prop-1-enyl]phenyl]prop-2-enoate
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Formula C20H25ClO3
InChI InChI=1S/C20H25ClO3/c1-3-16(2)6-4-5-15-24-20(23)14-12-18-9-7-17(8-10-18)11-13-19(21)22/h7-14,16H,3-6,15H2,1-2H3/b13-11+,14-12+
InChIKey DXNYSYNYLUVYKS-PHEQNACWSA-N
Molecular Weight 348.870 g/mol
SMILES CCC(C)CCCCOC(=O)\C=C\c1ccc(\C=C\C(Cl)=O)cc1
SPLASH splash10-0hi6-9431000000-666e8f0f6876c618add1
Source of Spectrum JX-2015-3-1031
Wiley ID 1724549