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2-Bromoethanesulfonic acid, sodium salt, monohydrate

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

2-Bromoethanesulfonic acid, sodium salt, monohydrate
SpectraBase Compound ID EUUwZB8xbBg
InChI InChI=1S/C2H5BrO3S.Na.H2O/c3-1-2-7(4,5)6;;/h1-2H2,(H,4,5,6);;1H2/q;+1;/p-1
InChIKey OZLUWFPFYMPQNH-UHFFFAOYSA-M
Mol Weight 229.02 g/mol
Molecular Formula C2H6BrNaO4S
Exact Mass 227.906787 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID DAgRofjIJDp
Name 2-Bromoethanesulfonic acid, sodium salt, monohydrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.906787123 u
Formula C2H6BrNaO4S
InChI InChI=1S/C2H5BrO3S.Na.H2O/c3-1-2-7(4,5)6;;/h1-2H2,(H,4,5,6);;1H2/q;+1;/p-1
InChIKey OZLUWFPFYMPQNH-UHFFFAOYSA-M
Molecular Weight 229.020 g/mol
SMILES O.C(Br)CS(=O)(=O)[O-].[Na+]
Spectrum/Structure Validation Score (Raman) 0.958806