3-(BENZYLCARBAMOYL)-1-(CARBOXYMETHYL)PYRIDINIUM CHLORIDE, DODECYL ESTER

SpectraBase Compound ID	KpyjTi27TFi
InChI	InChI=1S/C27H38N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-14-20-32-26(30)23-29-19-15-18-25(22-29)27(31)28-21-24-16-12-11-13-17-24;/h11-13,15-19,22H,2-10,14,20-21,23H2,1H3;1H
InChIKey	YFLQSDZCPBHBMA-UHFFFAOYSA-N Google Search
Mol Weight	475.1 g/mol
Molecular Formula	C27H39ClN2O3
Exact Mass	474.264921 g/mol

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SpectraBase Spectrum ID	HSnqD4WWWbW
Name	3-(BENZYLCARBAMOYL)-1-(CARBOXYMETHYL)PYRIDINIUM CHLORIDE, DODECYL ESTER
Source of Sample	Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number	S40301
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H39ClN2O3
InChI	InChI=1S/C27H38N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-14-20-32-26(30)23-29-19-15-18-25(22-29)27(31)28-21-24-16-12-11-13-17-24;/h11-13,15-19,22H,2-10,14,20-21,23H2,1H3;1H
InChIKey	YFLQSDZCPBHBMA-UHFFFAOYSA-N
Molecular Weight	475.070007
Synonyms	PYRIDINIUM CHLORIDE, 3-/BENZYL- CARBAMOYL/-1-/CARBOXYMETHYL/-, DODECYL ESTER
Technique	FILM (CAST FROM CHCl3)