For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Malonic acid, 2-hydroxy-2-(4-ethylthiophenyl)-, dimethyl ester
SpectraBase Compound ID KVjowrOBaYQ
InChI InChI=1S/C13H16O5S/c1-4-19-10-7-5-9(6-8-10)13(16,11(14)17-2)12(15)18-3/h5-8,16H,4H2,1-3H3
InChIKey LDLSSVKWMZSWTF-UHFFFAOYSA-N
Mol Weight 284.33 g/mol
Molecular Formula C13H16O5S
Exact Mass 284.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4n7bexPPlVA
Name MALONIC ACID, 2-HYDROXY-2-(4-ETHYLTHIOPHENYL)-, DIMETHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H16O5S
InChI InChI=1S/C13H16O5S/c1-4-19-10-7-5-9(6-8-10)13(16,11(14)17-2)12(15)18-3/h5-8,16H,4H2,1-3H3
InChIKey LDLSSVKWMZSWTF-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 284.0714
SMILES OC(C(OC)=O)(C(OC)=O)c1ccc(cc1)SCC
SPLASH splash10-014i-2940000000-2402079bb6389d163617
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany