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3-(N-dodecyl-m-toluidino)-1-propanesulfonic acid, sodium salt

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

3-(N-dodecyl-m-toluidino)-1-propanesulfonic acid, sodium salt
SpectraBase Compound ID kGbToAb32c
InChI InChI=1S/C22H39NO3S.Na/c1-3-4-5-6-7-8-9-10-11-12-17-23(18-14-19-27(24,25)26)22-16-13-15-21(2)20-22;/h13,15-16,20H,3-12,14,17-19H2,1-2H3,(H,24,25,26);/q;+1/p-1
InChIKey YLXUADHTVFHQHX-UHFFFAOYSA-M
Mol Weight 419.59976928 g/mol
Molecular Formula C22H38NNaO3S
Exact Mass 419.24701 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3xl2snbFExP
Name 3-(N-DODECYL-m-TOLUIDINO)-1-PROPANESULFONIC ACID, SODIUM SALT
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H38NNaO3S
InChI InChI=1S/C22H39NO3S.Na/c1-3-4-5-6-7-8-9-10-11-12-17-23(18-14-19-27(24,25)26)22-16-13-15-21(2)20-22;/h13,15-16,20H,3-12,14,17-19H2,1-2H3,(H,24,25,26);/q;+1/p-1
InChIKey YLXUADHTVFHQHX-UHFFFAOYSA-M
Instrument Name BRUKER AC-300
Molecular Weight 419.61
Solvent DMSO-d6; Reference=TMS; Temperature 297K