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Toluene-4-sulfonic acid, benzyl ester

View entire compound with spectra: 2 MS (GC)

Toluene-4-sulfonic acid, benzyl ester
SpectraBase Compound ID 7HuuLfrYxHs
InChI InChI=1S/C14H14O3S/c1-12-7-9-14(10-8-12)18(15,16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey OVHDZBAFUMEXCX-UHFFFAOYSA-N
Mol Weight 262.32 g/mol
Molecular Formula C14H14O3S
Exact Mass 262.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzlxGJscwBH
Name Toluene-4-sulfonic acid, benzyl ester
Alternate Name(s) (phenylmethyl) 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (phenylmethyl) ester 4-Methylbenzenesulfonic acid benzyl ester Benzyl 4-methylbenzenesulfonate
CAS Registry Number 1024-41-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O3S
InChI InChI=1S/C14H14O3S/c1-12-7-9-14(10-8-12)18(15,16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey OVHDZBAFUMEXCX-UHFFFAOYSA-N
Molecular Weight 262.323 g/mol
SMILES c1cc(ccc1)COS(c1ccc(C)cc1)(=O)=O
SPLASH splash10-052f-9400000000-803a69dfe42a2ff9960b
Wiley ID 1474567