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Methyl 4-(p-Tolylsulfonyl)butanoate
SpectraBase Compound ID BkM3QdXvuKT
InChI InChI=1S/C12H16O4S/c1-10-5-7-11(8-6-10)17(14,15)9-3-4-12(13)16-2/h5-8H,3-4,9H2,1-2H3
InChIKey YVTNLYVIQVCLAN-UHFFFAOYSA-N
Mol Weight 256.32 g/mol
Molecular Formula C12H16O4S
Exact Mass 256.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2F4MskE9PaV
Name Methyl 4-(p-Tolylsulfonyl)butanoate
Alternate Name(s) 4-(4-Methylphenyl)sulfonylbutanoic acid methyl ester 4-Tosylbutyric acid methyl ester
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Formula C12H16O4S
InChI InChI=1S/C12H16O4S/c1-10-5-7-11(8-6-10)17(14,15)9-3-4-12(13)16-2/h5-8H,3-4,9H2,1-2H3
InChIKey YVTNLYVIQVCLAN-UHFFFAOYSA-N
Molecular Weight 256.316 g/mol
SMILES c1(S(=O)(=O)CCCC(=O)OC)ccc(cc1)C
SPLASH splash10-0udi-4910000000-ade065ad89c47f5278c1
Source of Spectrum AJ-64-3604-3
Wiley ID 1259398