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1,4-Oxathiepan-2-one, 3,3-dimethyl-
SpectraBase Compound ID ImxwENSVcd7
InChI InChI=1S/C7H12O2S/c1-7(2)5-10-4-3-9-6(7)8/h3-5H2,1-2H3
InChIKey LYFNNCHZCYSELY-UHFFFAOYSA-N
Mol Weight 160.23 g/mol
Molecular Formula C7H12O2S
Exact Mass 160.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Eisu6KCS3X
Name 1,4-Oxathiepan-2-one, 3,3-dimethyl-
Alternate Name(s) 6,6-Dimethyl-1,4-oxathiepan-7-one
CAS Registry Number 35562-79-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2S
InChI InChI=1S/C7H12O2S/c1-7(2)5-10-4-3-9-6(7)8/h3-5H2,1-2H3
InChIKey LYFNNCHZCYSELY-UHFFFAOYSA-N
Molecular Weight 160.231 g/mol
SMILES C1(OCCSCC1(C)C)=O
SPLASH splash10-0gw0-9400000000-726297db3149b1636eea
Source of Spectrum EP-7190-0-0
Wiley ID 1156495