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3-(N-ethyl-m-toluidino)-2-hydroxy-1-propanesulfonic acid, monosodium salt

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

3-(N-ethyl-m-toluidino)-2-hydroxy-1-propanesulfonic acid, monosodium salt
SpectraBase Compound ID JU7vHRpxduL
InChI InChI=1S/C12H19NO4S.Na/c1-3-13(8-12(14)9-18(15,16)17)11-6-4-5-10(2)7-11;/h4-7,12,14H,3,8-9H2,1-2H3,(H,15,16,17);/q;+1/p-1
InChIKey IRQRBVOQGUPTLG-UHFFFAOYSA-M
Mol Weight 295.33 g/mol
Molecular Formula C12H18NNaO4S
Exact Mass 295.085424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1igWNRxt8US
Name 3-(N-ETHYL-m-TOLUIDINO)-2-HYDROXY-1-PROPANESULFONIC ACID,MONOSODIUM SALT
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 82692-93-1
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18NNaO4S
InChI InChI=1S/C12H19NO4S.Na/c1-3-13(8-12(14)9-18(15,16)17)11-6-4-5-10(2)7-11;/h4-7,12,14H,3,8-9H2,1-2H3,(H,15,16,17);/q;+1/p-1
InChIKey IRQRBVOQGUPTLG-UHFFFAOYSA-M
Molecular Weight 295.34
Solvent Deuterium oxide/Deuterium chloride; Reference=Dioxane Spectrometer= Varian CFT-20