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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 GZjncGtMEwl
Name MALONIC ACID, 2-HYDROXY-2-(3-METHYL-4-METHYLTHIOPHENYL)-, DIMETHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name 311A
Molecular Weight 284.0714
SMILES OC(C(OC)=O)(C(OC)=O)c1ccc(c(C)c1)SC
SPLASH splash10-014i-2930000000-875f10b72fdde5504398
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany