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4-Methylbenzenesulfonic acid 4-oxanylmethyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

4-Methylbenzenesulfonic acid 4-oxanylmethyl ester
SpectraBase Compound ID 4oZZDCiG6Sk
InChI InChI=1S/C13H18O4S/c1-11-2-4-13(5-3-11)18(14,15)17-10-12-6-8-16-9-7-12/h2-5,12H,6-10H2,1H3
InChIKey DCBKCZSYJRZBDB-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 4kyqdTfbdT0
Name 4-Methylbenzenesulfonic acid 4-oxanylmethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4S
InChI InChI=1S/C13H18O4S/c1-11-2-4-13(5-3-11)18(14,15)17-10-12-6-8-16-9-7-12/h2-5,12H,6-10H2,1H3
InChIKey DCBKCZSYJRZBDB-UHFFFAOYSA-N
Molecular Weight 270.343 g/mol
SMILES c1(S(OCC2CCOCC2)(=O)=O)ccc(cc1)C
SPLASH splash10-00di-9000000000-6ebef18f350abab71d16
Source of Spectrum C-115-8407-0
Synonyms 4-Methylbenzenesulfonic acid tetrahydropyran-4-ylmethyl ester Oxan-4-ylmethyl 4-methylbenzenesulfonate Tetrahydropyran-4-ylmethyl 4-methylbenzenesulfonate
Wiley ID 1273839