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Cyclopentenylmethyl(4-methyl-phenyl) sulfone
SpectraBase Compound ID ClnSYQ2ehZZ
InChI InChI=1S/C13H16O2S/c1-11-6-8-13(9-7-11)16(14,15)10-12-4-2-3-5-12/h4,6-9H,2-3,5,10H2,1H3
InChIKey LVPYTEHZFJJHLT-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 NIUXCqtXDY
Name Cyclopentenylmethyl(4-methyl-phenyl) sulfone
Alternate Name(s) 1-cyclopenten-1-ylmethyl 4-methylphenyl sulfone 1-[(1-cyclopenten-1-ylmethyl)sulfonyl]-4-methylbenzene 1-(1-cyclopentenylmethylsulfonyl)-4-methylbenzene 1-(cyclopenten-1-ylmethylsulfonyl)-4-methylbenzene
Comments Less than 3 mono-isotopic peaks
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Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-11-6-8-13(9-7-11)16(14,15)10-12-4-2-3-5-12/h4,6-9H,2-3,5,10H2,1H3
InChIKey LVPYTEHZFJJHLT-UHFFFAOYSA-N
Molecular Weight 236.329 g/mol
SMILES c1(S(CC2=CCCC2)(=O)=O)ccc(cc1)C
SPLASH splash10-001i-9000000000-399899da4451653314c4
Source of Spectrum F-50-1857-3
Wiley ID 1238005