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Methyl 4-(methylthio)butyrate

View entire compound with spectra: 2 NMR, 2 FTIR, and 3 MS (GC)

Methyl 4-(methylthio)butyrate
SpectraBase Compound ID GrU51RhYkvl
InChI InChI=1S/C6H12O2S/c1-8-6(7)4-3-5-9-2/h3-5H2,1-2H3
InChIKey HQDLZISNHUMXEA-UHFFFAOYSA-N
Mol Weight 148.22 g/mol
Molecular Formula C6H12O2S
Exact Mass 148.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID xiWaevh9Mo
Name Methyl 4-(methylthio)butyrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W341207
CAS Registry Number 53053-51-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2S
InChI InChI=1S/C6H12O2S/c1-8-6(7)4-3-5-9-2/h3-5H2,1-2H3
InChIKey HQDLZISNHUMXEA-UHFFFAOYSA-N
Observed nucleus 13C
Purity >=97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_013184