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4H-Thiopyran-4-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4H-Thiopyran-4-one
SpectraBase Compound ID J3I6OrQkJDF
InChI InChI=1S/C5H4OS/c6-5-1-3-7-4-2-5/h1-4H
InChIKey VNXUJPCYZSNXDG-UHFFFAOYSA-N
Mol Weight 112.15 g/mol
Molecular Formula C5H4OS
Exact Mass 111.998286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFH4Ewe5h8z
Name 4H-Thiopyran-4-one
CAS Registry Number 1003-41-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H4OS
InChI InChI=1S/C5H4OS/c6-5-1-3-7-4-2-5/h1-4H
InChIKey VNXUJPCYZSNXDG-UHFFFAOYSA-N
Molecular Weight 112.146 g/mol
SMILES C1(=O)C=CSC=C1
SPLASH splash10-08g0-9400000000-10d01ce3634a0f769de9
Source of Spectrum EP-5612-0-0
Synonyms 1,4-Thiapyrone 4-Thiapyrone 4-Thiopyranone 4-Thiopyrone 4H-Thiopyran, 4-oxo- Thiopyran-4-one
Wiley ID 1123006