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Toluene-4-sulfonic acid 5-methyl-hexyl ester

View entire compound with spectra: 1 MS (GC)

Toluene-4-sulfonic acid 5-methyl-hexyl ester
SpectraBase Compound ID Htfa4h3DHpw
InChI InChI=1S/C14H22O3S/c1-12(2)6-4-5-11-17-18(15,16)14-9-7-13(3)8-10-14/h7-10,12H,4-6,11H2,1-3H3
InChIKey BGALLBISGVIITN-UHFFFAOYSA-N
Mol Weight 270.39 g/mol
Molecular Formula C14H22O3S
Exact Mass 270.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OkMpCiMbC5
Name Toluene-4-sulfonic acid 5-methyl-hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3S
InChI InChI=1S/C14H22O3S/c1-12(2)6-4-5-11-17-18(15,16)14-9-7-13(3)8-10-14/h7-10,12H,4-6,11H2,1-3H3
InChIKey BGALLBISGVIITN-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 270.387 g/mol
SMILES C(CCCCOS(c1ccc(C)cc1)(=O)=O)(C)C
SPLASH splash10-0597-9700000000-1091258a050cbadcdbd1
Source of Spectrum US7648973B2
Wiley ID 1842507