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1,7-AXIAL-DIMETHYL-2,8-DIOXA-6-THIABICYCLO-[3.2.1]-OCTANE
SpectraBase Compound ID 5vDxl0WXauY
InChI InChI=1S/C7H12O2S/c1-5-7(2)8-3-6(9-7)4-10-5/h5-6H,3-4H2,1-2H3/t5?,6-,7-/m0/s1
InChIKey XHJQZARLDLGFFF-BYRXKDITSA-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 FhxlYi6I6Qq
Name 4,5-Dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane
CAS Registry Number 54505-44-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2S
InChI InChI=1S/C7H12O2S/c1-5-7(2)8-3-6(9-7)4-10-5/h5-6H,3-4H2,1-2H3/t5?,6-,7-/m0/s1
InChIKey XHJQZARLDLGFFF-BYRXKDITSA-N
Molecular Weight 160.231 g/mol
SMILES C1SC([C@@]2(O[C@]1(CO2)[H])C)C
SPLASH splash10-01ox-9200000000-b3eaf624783cba95ec67
Source of Spectrum O-13-440-6
Synonyms 4.beta.,5-Dimethyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane 4a,5-Dimethyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
Wiley ID 1156498