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4-[(1E)-3-Chloro-3-oxoprop-1-en-1-yl]benzene-1,2-diyl Diacetate
SpectraBase Compound ID Gywa6FEsyke
InChI InChI=1S/C13H11ClO5/c1-8(15)18-11-5-3-10(4-6-13(14)17)7-12(11)19-9(2)16/h3-7H,1-2H3/b6-4+
InChIKey YXWAVXQOQBBLQZ-GQCTYLIASA-N
Mol Weight 282.68 g/mol
Molecular Formula C13H11ClO5
Exact Mass 282.029501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AmjOpN3vxQG
Name 4-[(1E)-3-Chloro-3-oxoprop-1-en-1-yl]benzene-1,2-diyl Diacetate
Alternate Name(s) (E)-4-(3-chloro-3-oxoprop-1-en-1-yl)-1,2-phenylene diacetate Acetic acid [2-acetyloxy-4-[(E)-3-chloro-3-oxoprop-1-enyl]phenyl] ester [2-acetyloxy-4-[(E)-3-chloro-3-oxoprop-1-enyl]phenyl] acetate [2-acetoxy-4-[(E)-3-chloro-3-oxo-prop-1-enyl]phenyl] acetate [2-acetyloxy-4-[(E)-3-chloranyl-3-oxidanylidene-prop-1-enyl]phenyl] ethanoate
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Formula C13H11ClO5
InChI InChI=1S/C13H11ClO5/c1-8(15)18-11-5-3-10(4-6-13(14)17)7-12(11)19-9(2)16/h3-7H,1-2H3/b6-4+
InChIKey YXWAVXQOQBBLQZ-GQCTYLIASA-N
Literature Reference DOI 10.1002/cbdv.201100341
Molecular Weight 282.679 g/mol
SMILES c1(c(cc(cc1)\C=C\C(=O)Cl)OC(C)=O)OC(C)=O
SPLASH splash10-03dj-0930000000-f3c1cb84a441a0990610
Source of Spectrum CBD-9-294-20
Wiley ID 1771121