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(3aR,7aR)-2,3,3a,4,7,7a-hexahydro-1-benzothiophene 1,1-dioxide
SpectraBase Compound ID 3U6Qi8EiUVE
InChI InChI=1S/C8H12O2S/c9-11(10)6-5-7-3-1-2-4-8(7)11/h1-2,7-8H,3-6H2/t7-,8-/m1/s1
InChIKey NTHADLFTOIMHGB-HTQZYQBOSA-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 6yobJ2h2bF1
Name (3aR,7aR)-2,3,3a,4,7,7a-hexahydro-1-benzothiophene 1,1-dioxide
Alternate Name(s) (3aR,7aR)-2,3,3a,4,7,7a-hexahydrobenzothiophene 1,1-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2S
InChI InChI=1S/C8H12O2S/c9-11(10)6-5-7-3-1-2-4-8(7)11/h1-2,7-8H,3-6H2/t7-,8-/m1/s1
InChIKey NTHADLFTOIMHGB-HTQZYQBOSA-N
Molecular Weight 172.242 g/mol
SMILES [C@]12(CC=CC[C@]2(S(CC1)(=O)=O)[H])[H]
SPLASH splash10-0a6r-9800000000-8718a34c8da75092d8ce
Source of Spectrum KC-0-930-3
Wiley ID 781092