1-{2-[BIS(2-HYDROXYETHYL)CARBAMOYL]ETHYL}-1'-METHYL-4,4'-BIPYRIDINIUM BROMIDE IODIDE, BIS(10-UNDECENOATE) (ESTER)

SpectraBase Compound ID	LuGZztZHvHV
InChI	InChI=1S/C56H93N3O5.BrH.HI/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-55(61)63-50-48-59(54(60)42-47-58-45-40-53(41-46-58)52-38-43-57(3)44-39-52)49-51-64-56(62)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;;/h4-5,38-41,43-46H,1-2,6-37,42,47-51H2,3H3;2*1H/q+2;;/p-2
InChIKey	XNTAEZUBWJAPIP-UHFFFAOYSA-L Google Search
Mol Weight	1095.184 g/mol
Molecular Formula	C56H93BrIN3O5
Exact Mass	1093.534331 g/mol

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SpectraBase Spectrum ID	57xWQMhU9L8
Name	1-{2-[BIS(2-HYDROXYETHYL)CARBAMOYL]ETHYL}-1'-METHYL-4,4'-BIPYRIDINIUM BROMIDE IODIDE, BIS(10-UNDECENOATE) (ESTER)
Source of Sample	P. Tundo, Universita De Torino, Via Bidone, Italy
CAS Registry Number	82797-91-9
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C56H93BrIN3O5
InChI	InChI=1S/C56H93N3O5.BrH.HI/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-55(61)63-50-48-59(54(60)42-47-58-45-40-53(41-46-58)52-38-43-57(3)44-39-52)49-51-64-56(62)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;;/h4-5,38-41,43-46H,1-2,6-37,42,47-51H2,3H3;2*1H/q+2;;/p-2
InChIKey	XNTAEZUBWJAPIP-UHFFFAOYSA-L
Literature Reference	J. AM. CHEM. SOC. 104, 5352(1982) Abstract-Chemical Abstracts= 97, 129470(1982)
Melting Point	190C (dec.)
Molecular Weight	1095.180 g/mol
Synonyms	BIPYRIDINIUM BROMIDE IODIDE, 4,4-, 1-/2-/BIS/2-HYDROXYETHYL/CARBAMOYL/- ETHYL/-1-METHYL-, BIS/10-UNDECENOATE/ /ESTER/
Technique	KBr WAFER