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7-(4-methylphenyl)sulfonylcyclohepta-1,3,5-triene

View entire compound with spectra: 1 MS (GC)

7-(4-methylphenyl)sulfonylcyclohepta-1,3,5-triene
SpectraBase Compound ID 3AMMPbNL46n
InChI InChI=1S/C14H14O2S/c1-12-8-10-14(11-9-12)17(15,16)13-6-4-2-3-5-7-13/h2-11,13H,1H3
InChIKey FINZIBANCJJCNZ-UHFFFAOYSA-N
Mol Weight 246.32 g/mol
Molecular Formula C14H14O2S
Exact Mass 246.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CznhFtJq5S
Name 7-(4-methylphenyl)sulfonylcyclohepta-1,3,5-triene
Alternate Name(s) 7-(p-tolylsulfonyl)cyclohepta-1,3,5-triene 7-tosylcyclohepta-1,3,5-triene
CAS Registry Number 4359-19-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O2S
InChI InChI=1S/C14H14O2S/c1-12-8-10-14(11-9-12)17(15,16)13-6-4-2-3-5-7-13/h2-11,13H,1H3
InChIKey FINZIBANCJJCNZ-UHFFFAOYSA-N
Molecular Weight 246.324 g/mol
SMILES c1(S(=O)(=O)C2C=CC=CC=C2)ccc(C)cc1
SPLASH splash10-0006-9000000000-369f3d6bf139003a4026
Source of Spectrum KC-1987-715-3
Wiley ID 1248916