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trans-3,4,5,6,7-Octahydro-1,2-benzoxathiole 2,2-dioxide
SpectraBase Compound ID HcWbKK7IINm
InChI InChI=1S/C7H12O3S/c8-11(9)5-6-3-1-2-4-7(6)10-11/h6-7H,1-5H2/t6-,7+/m0/s1
InChIKey FZICJKFRHKROFH-NKWVEPMBSA-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 COVxRve5vLX
Name trans-3,4,5,6,7-Octahydro-1,2-benzoxathiole 2,2-dioxide
Alternate Name(s) (3aR,7aR)hexahydro-3H-1,2-benzoxathiole 2,2-dioxide
CAS Registry Number 75732-55-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O3S
InChI InChI=1S/C7H12O3S/c8-11(9)5-6-3-1-2-4-7(6)10-11/h6-7H,1-5H2/t6-,7+/m0/s1
InChIKey FZICJKFRHKROFH-NKWVEPMBSA-N
Molecular Weight 176.230 g/mol
SMILES [C@@]12(OS(C[C@@]1(CCCC2)[H])(=O)=O)[H]
SPLASH splash10-0aor-9000000000-a17e8bd9b72fe9d9b126
Source of Spectrum J-46-104-0
Wiley ID 1171920