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2-salicylmalonic acid dimethyl ester
SpectraBase Compound ID E5ePXDW91oE
InChI InChI=1S/C12H14O5/c1-16-11(14)9(12(15)17-2)7-8-5-3-4-6-10(8)13/h3-6,9,13H,7H2,1-2H3
InChIKey SKFYEPVPPRLKMX-UHFFFAOYSA-N
Mol Weight 238.24 g/mol
Molecular Formula C12H14O5
Exact Mass 238.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LkHfozHmEW8
Name 2-salicylmalonic acid dimethyl ester
Alternate Name(s) 2-[(2-hydroxyphenyl)methyl]propanedioic acid dimethyl ester dimethyl 2-[(2-hydroxyphenyl)methyl]propanedioate
Comments Less than 3 mono-isotopic peaks
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Formula C12H14O5
InChI InChI=1S/C12H14O5/c1-16-11(14)9(12(15)17-2)7-8-5-3-4-6-10(8)13/h3-6,9,13H,7H2,1-2H3
InChIKey SKFYEPVPPRLKMX-UHFFFAOYSA-N
Molecular Weight 238.239 g/mol
SMILES Oc1c(cccc1)CC(C(=O)OC)C(=O)OC
SPLASH splash10-0002-0900000000-2ba4f53130d87c6e645b
Source of Spectrum J-66-3441-37
Wiley ID 1535208