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3-(Toluene-4-sulfonyloxy)butyric acid, methyl ester
SpectraBase Compound ID 5HIfDy0P5wc
InChI InChI=1S/C12H16O5S/c1-9-4-6-11(7-5-9)18(14,15)17-10(2)8-12(13)16-3/h4-7,10H,8H2,1-3H3
InChIKey ZPNXTLBKSJMKNG-UHFFFAOYSA-N
Mol Weight 272.31 g/mol
Molecular Formula C12H16O5S
Exact Mass 272.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tErUDliPti
Name 3-(Toluene-4-sulfonyloxy)butyric acid, methyl ester
CAS Registry Number 106797-75-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O5S
InChI InChI=1S/C12H16O5S/c1-9-4-6-11(7-5-9)18(14,15)17-10(2)8-12(13)16-3/h4-7,10H,8H2,1-3H3
InChIKey ZPNXTLBKSJMKNG-UHFFFAOYSA-N
Molecular Weight 272.315 g/mol
SMILES c1(S(=O)(=O)OC(C)CC(=O)OC)ccc(cc1)C
SPLASH splash10-066u-9400000000-9cb51f4ad8a6cbfcee4c
Synonyms 3-(4-Methylphenyl)sulfonyloxybutanoic acid methyl ester 3-Tosyloxybutyric acid methyl ester Methyl 3-(4-methylphenyl)sulfonyloxybutanoate Methyl 3-(p-tolylsulfonyloxy)butanoate
Wiley ID 1484289