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3-(methylthio)propionic acid, ethyl ester

View entire compound with spectra: 3 NMR, 6 FTIR, and 12 MS (GC)

3-(methylthio)propionic acid, ethyl ester
SpectraBase Compound ID EHrxEbv1nVF
InChI InChI=1S/C6H12O2S/c1-3-8-6(7)4-5-9-2/h3-5H2,1-2H3
InChIKey YSNWHRKJEKWJNY-UHFFFAOYSA-N
Mol Weight 148.22 g/mol
Molecular Formula C6H12O2S
Exact Mass 148.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KfVIf0PJkII
Name PROPANOIC ACID, 3-(METHYLTHIO)-, ETHYL ESTER
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 148.055800798 u
Formula C6H12O2S
InChI InChI=1S/C6H12O2S/c1-3-8-6(7)4-5-9-2/h3-5H2,1-2H3
InChIKey YSNWHRKJEKWJNY-UHFFFAOYSA-N
Molecular Weight 148.220 g/mol
Nominal Mass 148 u
Number of Peaks 75
SMILES CSCCC(OCC)=O
SPLASH splash10-00b9-9100000000-279b5672c7afa48b99f6
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000515