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1-Tosyl-2-pentanone
SpectraBase Compound ID KqAg94rvRl1
InChI InChI=1S/C12H16O3S/c1-3-4-11(13)9-16(14,15)12-7-5-10(2)6-8-12/h5-8H,3-4,9H2,1-2H3
InChIKey NBWYTGYPRKEUSQ-UHFFFAOYSA-N
Mol Weight 240.32 g/mol
Molecular Formula C12H16O3S
Exact Mass 240.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTFeTOkbm3p
Name 1-Tosyl-2-pentanone
Alternate Name(s) 1-[(4-methylphenyl)sulfonyl]-2-pentanone 1-(4-Methylphenyl)sulfonyl-2-pentanone 1-(p-tolylsulfonyl)pentan-2-one 1-(4-Methylphenyl)sulfonylpentan-2-one
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Formula C12H16O3S
InChI InChI=1S/C12H16O3S/c1-3-4-11(13)9-16(14,15)12-7-5-10(2)6-8-12/h5-8H,3-4,9H2,1-2H3
InChIKey NBWYTGYPRKEUSQ-UHFFFAOYSA-N
Molecular Weight 240.317 g/mol
SMILES C(C(CCC)=O)S(=O)(=O)c1ccc(C)cc1
SPLASH splash10-0fkc-9300000000-4509b57cd64533418ece
Source of Spectrum AJ-65-1387-9
Wiley ID 771323