sodium 2-[(9E)-N-methyloctadec-9-enamido]ethane-1-sulfonate

SpectraBase Compound ID	5TVbUEHUFWw
InChI	InChI=1S/C21H41NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h10-11H,3-9,12-20H2,1-2H3,(H,24,25,26);/q;+1/p-1/b11-10+;
InChIKey	IZWPGJFSBABFGL-ASTDGNLGSA-M Google Search
Mol Weight	425.6 g/mol
Molecular Formula	C21H40NNaO4S
Exact Mass	425.257574 g/mol

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SpectraBase Spectrum ID	F36Sps45aul
Name	sodium 2-[(9E)-N-methyloctadec-9-enamido]ethane-1-sulfonate
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C21H41NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h10-11H,3-9,12-20H2,1-2H3,(H,24,25,26);/q;+1/p-1/b11-10+;
InChIKey	IZWPGJFSBABFGL-ASTDGNLGSA-M
NMR Offset	15.2038
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_ASIOH_8516_6169
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: AG-205/3650040; Labnumber: R/9410-048; IOH_ID: IOH-013172
Temperature	297 °C