1-[2-Hydroxy-3-(N,N-dihexadecylamino)propyl]-1,4,7,10-tetraazacyclododecane

SpectraBase Compound ID	BthsncPHJ1C
InChI	InChI=1S/C43H91N5O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37-47(38-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)41-43(49)42-48-39-35-45-33-31-44-32-34-46-36-40-48/h43-46,49H,3-42H2,1-2H3
InChIKey	ZJBPIGYEPGOYSH-UHFFFAOYSA-N Google Search
Mol Weight	694.2 g/mol
Molecular Formula	C43H91N5O
Exact Mass	693.722363 g/mol

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SpectraBase Spectrum ID	1E1kBHXBIMG
Name	1-[2-Hydroxy-3-(N,N-dihexadecylamino)propyl]-1,4,7,10-tetraazacyclododecane
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	693.722362569 u
Formula	C43H91N5O
InChI	InChI=1S/C43H91N5O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37-47(38-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)41-43(49)42-48-39-35-45-33-31-44-32-34-46-36-40-48/h43-46,49H,3-42H2,1-2H3
InChIKey	ZJBPIGYEPGOYSH-UHFFFAOYSA-N
Molecular Weight	694.235 g/mol
SMILES	C1N(CCNCCNCCNC1)CC(CN(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)O