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Methyl 5-(p-Tolylsulfonyl)pentanoate
SpectraBase Compound ID FM5zodJpxl2
InChI InChI=1S/C13H18O4S/c1-11-6-8-12(9-7-11)18(15,16)10-4-3-5-13(14)17-2/h6-9H,3-5,10H2,1-2H3
InChIKey SRNXEWWNDAROIM-UHFFFAOYSA-N
Mol Weight 270.34 g/mol
Molecular Formula C13H18O4S
Exact Mass 270.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1njLCZamZQ0
Name Methyl 5-(p-Tolylsulfonyl)pentanoate
Alternate Name(s) Methyl 5-[(4-methylphenyl)sulfonyl]pentanoate
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Formula C13H18O4S
InChI InChI=1S/C13H18O4S/c1-11-6-8-12(9-7-11)18(15,16)10-4-3-5-13(14)17-2/h6-9H,3-5,10H2,1-2H3
InChIKey SRNXEWWNDAROIM-UHFFFAOYSA-N
Molecular Weight 270.343 g/mol
SMILES c1(S(=O)(=O)CCCCC(=O)OC)ccc(cc1)C
SPLASH splash10-066r-9600000000-0df45070e1fa6e3f0eb7
Source of Spectrum AJ-64-3604-3
Wiley ID 1273837