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2-(5-chloro-2-hydroxy-phenyl)succinic acid dimethyl ester
SpectraBase Compound ID F5v3APItAQk
InChI InChI=1S/C12H13ClO5/c1-17-11(15)6-9(12(16)18-2)8-5-7(13)3-4-10(8)14/h3-5,9,14H,6H2,1-2H3
InChIKey YFNPJRBCKNRPOW-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 FrF9VcnuNGh
Name 2-(5-chloro-2-hydroxy-phenyl)succinic acid dimethyl ester
Alternate Name(s) 2-(5-chloro-2-hydroxyphenyl)butanedioic acid dimethyl ester dimethyl 2-(5-chloranyl-2-oxidanyl-phenyl)butanedioate dimethyl 2-(5-chloro-2-hydroxy-phenyl)butanedioate
CAS Registry Number 82366-91-4
Comments Less than 3 mono-isotopic peaks
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Formula C12H13ClO5
InChI InChI=1S/C12H13ClO5/c1-17-11(15)6-9(12(16)18-2)8-5-7(13)3-4-10(8)14/h3-5,9,14H,6H2,1-2H3
InChIKey YFNPJRBCKNRPOW-UHFFFAOYSA-N
Molecular Weight 272.684 g/mol
SMILES Oc1c(C(C(=O)OC)CC(=O)OC)cc(cc1)Cl
SPLASH splash10-00di-0090000000-600d20aef76e195f86ac
Source of Spectrum Y-19-397-2
Wiley ID 1275754