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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
Mol Weight 694.2 g/mol
Molecular Formula C43H91N5O
Exact Mass 693.722363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfNo2RzQgZB
Name 1-[2-Hydroxy-3-(N,N-dihexadecylamino)propyl]-1,4,7,10-tetraazacyclododecane
Alternate Name(s) 1-(dihexadecylamino)-3-(1,4,7,10-tetraazacyclododecan-1-yl)-2-propanol 1-(dihexadecylamino)-3-(1,4,7,10-tetrazacyclododec-1-yl)-2-propanol 1-(dihexadecylamino)-3-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-ol
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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 N1CCNCCNCCN(CC(CN(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)O)CC1
SPLASH splash10-0udi-0090000000-e4a567baa36a5b769c6a
Source of Spectrum K-2001-932-6
Wiley ID 1580367