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2,3-tetramethylene-6-methyl-1,4-oxathiin
SpectraBase Compound ID 8wNTByMobhe
InChI InChI=1S/C9H12OS/c1-7-6-11-9-5-3-2-4-8(9)10-7/h6H,2-5H2,1H3
InChIKey LVMOWUAQTHNPJC-UHFFFAOYSA-N
Mol Weight 168.25 g/mol
Molecular Formula C9H12OS
Exact Mass 168.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3C9I793A862
Name 2,3-tetramethylene-6-methyl-1,4-oxathiin
CAS Registry Number 101249-28-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12OS
InChI InChI=1S/C9H12OS/c1-7-6-11-9-5-3-2-4-8(9)10-7/h6H,2-5H2,1H3
InChIKey LVMOWUAQTHNPJC-UHFFFAOYSA-N
Molecular Weight 168.254 g/mol
SMILES C1=2OC(C)=CSC2CCCC1
SPLASH splash10-016r-5900000000-85eb882d3539b2410163
Source of Spectrum J-51-1896-4
Synonyms 2-Methyl-5,6,7,8-tetrahydro-1,4-benzoxathiin
Wiley ID 1164264