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2-Methyl-3-(4-methylphenyl)sulfonyl-pent-4-en-2-ol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Methyl-3-(4-methylphenyl)sulfonyl-pent-4-en-2-ol
SpectraBase Compound ID 2WXExos1ICH
InChI InChI=1S/C13H18O3S/c1-5-12(13(3,4)14)17(15,16)11-8-6-10(2)7-9-11/h5-9,12,14H,1H2,2-4H3
InChIKey YWCIIFAIRNHSON-UHFFFAOYSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H18O3S
Exact Mass 254.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WE5qaN1ZnT
Name 2-Methyl-3-(4-methylphenyl)sulfonyl-pent-4-en-2-ol
Alternate Name(s) 2-Methyl-3-(p-tolylsulfonyl)pent-4-en-2-ol 2-Methyl-3-tosyl-pent-4-en-2-ol 2-Methyl-3-(4-methylphenyl)sulfonyl-4-penten-2-ol
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Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c1-5-12(13(3,4)14)17(15,16)11-8-6-10(2)7-9-11/h5-9,12,14H,1H2,2-4H3
InChIKey YWCIIFAIRNHSON-UHFFFAOYSA-N
Molecular Weight 254.344 g/mol
SMILES OC(C(S(c1ccc(cc1)C)(=O)=O)C=C)(C)C
SPLASH splash10-000g-6920000000-ea51843b78475e08ae4f
Source of Spectrum D1-1996-750-2
Wiley ID 834743