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Malonic acid, 2-hydroxy-2-(3-methyl-4-methylthiophenyl)-, dimethyl ester
SpectraBase Compound ID 87Y5EQWveMC
InChI InChI=1S/C13H16O5S/c1-8-7-9(5-6-10(8)19-4)13(16,11(14)17-2)12(15)18-3/h5-7,16H,1-4H3
InChIKey IROYBIOPTOJSJX-UHFFFAOYSA-N
Mol Weight 284.33 g/mol
Molecular Formula C13H16O5S
Exact Mass 284.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLUFaZGpxw8
Name Malonic acid, 2-hydroxy-2-(3-methyl-4-methylthiophenyl)-, dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5S
InChI InChI=1S/C13H16O5S/c1-8-7-9(5-6-10(8)19-4)13(16,11(14)17-2)12(15)18-3/h5-7,16H,1-4H3
InChIKey IROYBIOPTOJSJX-UHFFFAOYSA-N
Molecular Weight 284.326 g/mol
SMILES OC(c1cc(c(SC)cc1)C)(C(=O)OC)C(=O)OC
SPLASH splash10-014i-2930000000-7a90429520543ac41a1f
Synonyms 2-Hydroxy-2-[3-methyl-4-(methylthio)phenyl]malonic acid dimethyl ester 2-Hydroxy-2-[3-methyl-4-(methylthio)phenyl]propanedioic acid dimethyl ester Dimethyl 2-(3-methyl-4-methylsulfanyl-phenyl)-2-oxidanyl-propanedioate Dimethyl 2-hydroxy-2-(3-methyl-4-methylsulfanyl-phenyl)propanedioate Dimethyl 2-hydroxy-2-[3-methyl-4-(methylsulfanyl)phenyl]malonate
Wiley ID 1496214