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3-[5-(2-chloro-1-oxoethyl)-2,4-dihydroxyphenyl]propanoic acid methyl ester
SpectraBase Compound ID H45JF0EHjyj
InChI InChI=1S/C12H13ClO5/c1-18-12(17)3-2-7-4-8(11(16)6-13)10(15)5-9(7)14/h4-5,14-15H,2-3,6H2,1H3
InChIKey LUAMZBKESHBBRT-UHFFFAOYSA-N
Mol Weight 272.68 g/mol
Molecular Formula C12H13ClO5
Exact Mass 272.045151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPGR7aYMBIR
Name 3-[5-(2-chloro-1-oxoethyl)-2,4-dihydroxyphenyl]propanoic acid methyl ester
Alternate Name(s) 3-[5-(2-chloroacetyl)-2,4-dihydroxy-phenyl]propionic acid methyl ester Methyl 3-[5-(2-chloranylethanoyl)-2,4-bis(oxidanyl)phenyl]propanoate Methyl 3-[5-(2-chloroacetyl)-2,4-dihydroxy-phenyl]propanoate
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Formula C12H13ClO5
InChI InChI=1S/C12H13ClO5/c1-18-12(17)3-2-7-4-8(11(16)6-13)10(15)5-9(7)14/h4-5,14-15H,2-3,6H2,1H3
InChIKey LUAMZBKESHBBRT-UHFFFAOYSA-N
Molecular Weight 272.684 g/mol
SMILES Oc1c(cc(c(c1)O)C(=O)CCl)CCC(=O)OC
SPLASH splash10-01vo-1920000000-01c07f99bcc0163f2a3c
Source of Spectrum C5-2003-29-7
Wiley ID 1615229