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5-Benzyl-2,4-dimethyl-2,3-dihydrothiophene 1,1-dioxide
SpectraBase Compound ID 6s3WLlhNGbO
InChI InChI=1S/C13H16O2S/c1-10-8-11(2)16(14,15)13(10)9-12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3
InChIKey AAFRYYSCAUXQHW-UHFFFAOYSA-N
Mol Weight 236.33 g/mol
Molecular Formula C13H16O2S
Exact Mass 236.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQwETGV29rS
Name 5-Benzyl-2,4-dimethyl-2,3-dihydrothiophene 1,1-dioxide
CAS Registry Number 154198-05-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-10-8-11(2)16(14,15)13(10)9-12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3
InChIKey AAFRYYSCAUXQHW-UHFFFAOYSA-N
Molecular Weight 236.329 g/mol
SMILES c1ccc(CC=2S(C(CC2C)C)(=O)=O)cc1
SPLASH splash10-004u-7910000000-2c786bdb0ae818ffd486
Source of Spectrum AD-0-2532-0
Synonyms 2,4-Dimethyl-5-(phenylmethyl)-2,3-dihydrothiophene 1,1-dioxide Thiophene, 2,3-dihydro-5-benzyl-2,4-dimethyl-, 1,1-dioxide
Wiley ID 1425220