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(2)-Methyltetrahydrothiophen-3-one

View entire compound with spectra: 2 NMR, 4 FTIR, 1 Raman, and 7 MS (GC)

(2)-Methyltetrahydrothiophen-3-one
SpectraBase Compound ID 9AOw2s6xI9R
InChI InChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
InChIKey YMZZPMVKABUEBL-UHFFFAOYSA-N
Mol Weight 116.18 g/mol
Molecular Formula C5H8OS
Exact Mass 116.029586 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2eXZ5s9Pu9o
Name 2-Methyltetrahydrothiophen-3-one
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W351202
CAS Registry Number 13679-85-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H8OS
InChI InChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
InChIKey YMZZPMVKABUEBL-UHFFFAOYSA-N
Observed nucleus 1H
Purity >=97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_013102