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p-Octylbenzenesulfonic acid, sodium salt

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

p-Octylbenzenesulfonic acid, sodium salt
SpectraBase Compound ID Fv58HNcVEcZ
InChI InChI=1S/C14H22O3S.Na/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)18(15,16)17;/h9-12H,2-8H2,1H3,(H,15,16,17);/q;+1/p-1
InChIKey ASJUTVUXOMPOQH-UHFFFAOYSA-M
Mol Weight 292.36876928 g/mol
Molecular Formula C14H21NaO3S
Exact Mass 292.11091 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6hNbg0gAvCa
Name p-Octylbenzenesulfonic acid, sodium salt
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.110909987 u
Formula C14H21NaO3S
InChI InChI=1S/C14H22O3S.Na/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)18(15,16)17;/h9-12H,2-8H2,1H3,(H,15,16,17);/q;+1/p-1
InChIKey ASJUTVUXOMPOQH-UHFFFAOYSA-M
Molecular Weight 292.369 g/mol
SMILES [Na+].C=1C(=CC=C(C1)CCCCCCCC)S(=O)(=O)[O-]
Spectrum/Structure Validation Score (Raman) 0.976973