[3-CARBAMOYL-4-METHYL-3-(1-NAPHTHYL)PENTYL]DIMETHYLOCTYLAMMONIUM BROMIDE

SpectraBase Compound ID	ClF5KymSYTs
InChI	InChI=1S/C27H42N2O.BrH/c1-6-7-8-9-10-13-20-29(4,5)21-19-27(22(2)3,26(28)30)25-18-14-16-23-15-11-12-17-24(23)25;/h11-12,14-18,22H,6-10,13,19-21H2,1-5H3,(H-,28,30);1H
InChIKey	NSLQTCPHKDWTIQ-UHFFFAOYSA-N Google Search
Mol Weight	491.6 g/mol
Molecular Formula	C27H43BrN2O
Exact Mass	490.255877 g/mol

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SpectraBase Spectrum ID	D2nfuOgTwQt
Name	[3-CARBAMOYL-4-METHYL-3-(1-NAPHTHYL)PENTYL]DIMETHYLOCTYLAMMONIUM BROMIDE
Source of Sample	E. Crescenzi, Instituto De Angeli, Milan,Italy
Comments	Tentative assignment; Some carbon atoms are unassigned
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H43BrN2O
InChI	InChI=1S/C27H42N2O.BrH/c1-6-7-8-9-10-13-20-29(4,5)21-19-27(22(2)3,26(28)30)25-18-14-16-23-15-11-12-17-24(23)25;/h11-12,14-18,22H,6-10,13,19-21H2,1-5H3,(H-,28,30);1H
InChIKey	NSLQTCPHKDWTIQ-UHFFFAOYSA-N
Melting Point	168-172C
Molecular Weight	491.57
Solvent	Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms	AMMONIUM BROMIDE, /3-CARBAMOYL-4- METHYL-3-/1-NAPHTHYL/PENTYL/DIMETHYLOCTYL-,