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Heptanesulfonic acid, sodium salt, monohydrate

View entire compound with spectra: 4 NMR, 3 FTIR, and 1 Raman

Heptanesulfonic acid, sodium salt, monohydrate
SpectraBase Compound ID 5QYFSThn9ot
InChI InChI=1S/C7H16O3S.Na.H2O/c1-2-3-4-5-6-7-11(8,9)10;;/h2-7H2,1H3,(H,8,9,10);;1H2/q;+1;/p-1
InChIKey XWZCREJRXRKIRQ-UHFFFAOYSA-M
Mol Weight 220.259 g/mol
Molecular Formula C7H17NaO4S
Exact Mass 220.074524 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JgGFuBeZr3l
Name 1-Heptanesulfonic acid, sodium salt hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 333832
CAS Registry Number 207300-90-1
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H17NaO4S
InChI 1S/C7H16O3S.Na.H2O/c1-2-3-4-5-6-7-11(8,9)10;;/h2-7H2,1H3,(H,8,9,10);;1H2/q;+1;/p-1
InChIKey XWZCREJRXRKIRQ-UHFFFAOYSA-M
Observed nucleus 13C
Solvent D2O
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1-Heptanesulfonic acid sodium salt monohydrate
Wiley ID SIAL_13CNMR_006778