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1,1-Dioxo-1lambda(6)-thiocan-5-one
SpectraBase Compound ID 4iABGIxWkel
InChI InChI=1S/C7H12O3S/c8-7-3-1-5-11(9,10)6-2-4-7/h1-6H2
InChIKey PVNJHJLDXZOLSF-UHFFFAOYSA-N
Mol Weight 176.23 g/mol
Molecular Formula C7H12O3S
Exact Mass 176.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GPWBUNp1KMw
Name 1,1-Dioxo-1lambda(6)-thiocan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O3S
InChI InChI=1S/C7H12O3S/c8-7-3-1-5-11(9,10)6-2-4-7/h1-6H2
InChIKey PVNJHJLDXZOLSF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200260
Molecular Weight 176.230 g/mol
SMILES C1S(=O)(=O)CCCC(CC1)=O
SPLASH splash10-006x-9000000000-cbe4bf2fb62397af284a
Source of Spectrum H-96-233-11
Synonyms Thiocan-5-one 1,1-Dioxide
Wiley ID 1786264