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Carbonic acid, methyl ester, diester with 3,4-dihydroxycinnamoyl chloride
SpectraBase Compound ID 4XJmih9OHa8
InChI InChI=1S/C13H11ClO7/c1-18-12(16)20-9-5-3-8(4-6-11(14)15)7-10(9)21-13(17)19-2/h3-7H,1-2H3/b6-4+
InChIKey PBCGMZIENLJXSI-GQCTYLIASA-N
Mol Weight 314.68 g/mol
Molecular Formula C13H11ClO7
Exact Mass 314.01933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKza7VpDbW0
Name Carbonic acid, methyl ester, diester with 3,4-dihydroxycinnamoyl chloride
Alternate Name(s) Carbonic acid [4-[(E)-3-chloro-3-oxoprop-1-enyl]-2-methoxycarbonyloxyphenyl] methyl ester [4-[(E)-3-chloro-3-oxoprop-1-enyl]-2-methoxycarbonyloxyphenyl] methyl carbonate [4-[(E)-3-chloro-3-oxo-prop-1-enyl]-2-methoxycarbonyloxy-phenyl] methyl carbonate [4-[(E)-3-chloranyl-3-oxidanylidene-prop-1-enyl]-2-methoxycarbonyloxy-phenyl] methyl carbonate
CAS Registry Number 16180-95-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11ClO7
InChI InChI=1S/C13H11ClO7/c1-18-12(16)20-9-5-3-8(4-6-11(14)15)7-10(9)21-13(17)19-2/h3-7H,1-2H3/b6-4+
InChIKey PBCGMZIENLJXSI-GQCTYLIASA-N
Molecular Weight 314.677 g/mol
SMILES COC(=O)Oc1c(OC(=O)OC)cc(\C=C\C(Cl)=O)cc1
SPLASH splash10-052u-9830000000-130d08251ddec4572426
Source of Spectrum RG-12-24-0
Wiley ID 1314658