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DSXFPRKPFJRPIB-UHFFFAOYSA-N

View entire compound with spectra: 6 NMR, 5 FTIR, and 9 MS (GC)

DSXFPRKPFJRPIB-UHFFFAOYSA-N
SpectraBase Compound ID 6T3f1btk3Nx
InChI InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2
InChIKey DSXFPRKPFJRPIB-UHFFFAOYSA-N
Mol Weight 102.15 g/mol
Molecular Formula C4H6OS
Exact Mass 102.013936 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KifjyPb9IpJ
Name 4,5-Dihydro-3(2H)-thiophenone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 264784
CAS Registry Number 1003-04-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H6OS
InChI InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2
InChIKey DSXFPRKPFJRPIB-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-Thiophanone; Tetrahydrothiophen-3-one
Wiley ID SIAL_13CNMR_004796