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1-Tosyl-cyclohexa-1,3-diene
SpectraBase Compound ID DbSi0VDDMjQ
InChI InChI=1S/C13H14O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-3,5,7-10H,4,6H2,1H3
InChIKey FPRATHWUMITJCO-UHFFFAOYSA-N
Mol Weight 234.31 g/mol
Molecular Formula C13H14O2S
Exact Mass 234.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4prraiT5uva
Name Benzene, 1-(1,3-cyclohexadien-1-ylsulfonyl)-4-methyl-
CAS Registry Number 115125-86-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2S
InChI InChI=1S/C13H14O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-3,5,7-10H,4,6H2,1H3
InChIKey FPRATHWUMITJCO-UHFFFAOYSA-N
Molecular Weight 234.313 g/mol
SMILES C1(S(c2ccc(cc2)C)(=O)=O)=CC=CCC1
SPLASH splash10-004i-9200000000-0cc9092befc0ad3fdfc0
Source of Spectrum KC-1987-2608-22
Synonyms 1,3-cyclohexadien-1-yl 4-methylphenyl sulfone 1-(1,3-cyclohexadien-1-ylsulfonyl)-4-methylbenzene 1-(1-cyclohexa-1,3-dienylsulfonyl)-4-methylbenzene 1-(p-toluenesulfonyl)-1,3-cyclohexadiene 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-methyl-benzene 1-Tosylcyclohexa-1,3-diene
Wiley ID 1235848