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Benzenesulfonic acid, 4-methyl-, octyl ester

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

Benzenesulfonic acid, 4-methyl-, octyl ester
SpectraBase Compound ID FsMIirarNSn
InChI InChI=1S/C15H24O3S/c1-3-4-5-6-7-8-13-18-19(16,17)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3
InChIKey LYQJBZLAANNIER-UHFFFAOYSA-N
Mol Weight 284.41 g/mol
Molecular Formula C15H24O3S
Exact Mass 284.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RX4IFU6PRL
Name Benzenesulfonic acid, 4-methyl-, octyl ester
Alternate Name(s) 4-Methylbenzenesulfonic acid octyl ester Octyl 4-methylbenzenesulfonate
CAS Registry Number 3386-35-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O3S
InChI InChI=1S/C15H24O3S/c1-3-4-5-6-7-8-13-18-19(16,17)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3
InChIKey LYQJBZLAANNIER-UHFFFAOYSA-N
Molecular Weight 284.414 g/mol
SMILES c1cc(S(=O)(=O)OCCCCCCCC)ccc1C
SPLASH splash10-05fr-9500000000-7f99e3016692dbf49df0
Wiley ID 1479440