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(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide
SpectraBase Compound ID Ibq27aGPcgq
InChI InChI=1S/C8H14O2S/c9-11(10)5-7-3-1-2-4-8(7)6-11/h7-8H,1-6H2/t7-,8+
InChIKey VGQCRPHTIKWVRB-OCAPTIKFSA-N
Mol Weight 174.26 g/mol
Molecular Formula C8H14O2S
Exact Mass 174.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZQnBgqIWbR
Name (3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide
Alternate Name(s) (3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisobenzothiophene 2,2-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O2S
InChI InChI=1S/C8H14O2S/c9-11(10)5-7-3-1-2-4-8(7)6-11/h7-8H,1-6H2/t7-,8+
InChIKey VGQCRPHTIKWVRB-OCAPTIKFSA-N
Molecular Weight 174.258 g/mol
SMILES C1S(C[C@@]2(CCCC[C@]12[H])[H])(=O)=O
SPLASH splash10-066s-9400000000-96bd4b1eebaf3c9e381a
Source of Spectrum KC-0-2306-28
Wiley ID 781738