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(3aR,7aS)-1,3,3a,4,7,7a-hexahydro-2-benzothiophene 2,2-dioxide
SpectraBase Compound ID WeMziLM0Hf
InChI InChI=1S/C8H12O2S/c9-11(10)5-7-3-1-2-4-8(7)6-11/h1-2,7-8H,3-6H2/t7-,8+
InChIKey VSEMXKYLUQVDRJ-OCAPTIKFSA-N
Mol Weight 172.24 g/mol
Molecular Formula C8H12O2S
Exact Mass 172.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1qQmUgTxdS
Name (3aR,7aS)-1,3,3a,4,7,7a-hexahydro-2-benzothiophene 2,2-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2S
InChI InChI=1S/C8H12O2S/c9-11(10)5-7-3-1-2-4-8(7)6-11/h1-2,7-8H,3-6H2/t7-,8+
InChIKey VSEMXKYLUQVDRJ-OCAPTIKFSA-N
Molecular Weight 172.242 g/mol
SMILES C1S(C[C@]2(CC=CC[C@@]12[H])[H])(=O)=O
SPLASH splash10-056u-9600000000-717a548a768785750e62
Source of Spectrum KC-0-2305-5
Synonyms (3aR,7aS)-1,3,3a,4,7,7a-hexahydroisobenzothiophene 2,2-dioxide
Wiley ID 781747