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3-{[2-(Bis-{2-[(2-cyano-ethyl)-cyclododecyl-amino]-ethyl}-amino)-ethyl]-cyclododecyl-amino}-propionitrile
SpectraBase Compound ID 3jdyKxYlQ8N
InChI InChI=1S/C51H93N7/c52-37-28-40-56(49-31-22-16-10-4-1-5-11-17-23-32-49)46-43-55(44-47-57(41-29-38-53)50-33-24-18-12-6-2-7-13-19-25-34-50)45-48-58(42-30-39-54)51-35-26-20-14-8-3-9-15-21-27-36-51/h49-51H,1-36,40-48H2
InChIKey ZHRFNOAUSKIHID-UHFFFAOYSA-N
Mol Weight 804.4 g/mol
Molecular Formula C51H93N7
Exact Mass 803.749246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FtczVop6iK
Name 3-{[2-(Bis-{2-[(2-cyano-ethyl)-cyclododecyl-amino]-ethyl}-amino)-ethyl]-cyclododecyl-amino}-propionitrile
CAS Registry Number 139201-13-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H93N7
InChI InChI=1S/C51H93N7/c52-37-28-40-56(49-31-22-16-10-4-1-5-11-17-23-32-49)46-43-55(44-47-57(41-29-38-53)50-33-24-18-12-6-2-7-13-19-25-34-50)45-48-58(42-30-39-54)51-35-26-20-14-8-3-9-15-21-27-36-51/h49-51H,1-36,40-48H2
InChIKey ZHRFNOAUSKIHID-UHFFFAOYSA-N
Molecular Weight 804.354 g/mol
SMILES C(#N)CCN(CCN(CCN(C1CCCCCCCCCCC1)CCC#N)CCN(C1CCCCCCCCCCC1)CCC#N)C1CCCCCCCCCCC1
SPLASH splash10-0udj-4010290000-e81904a14f70ed2522c2
Source of Spectrum E1-35-1242-19
Synonyms 2,3',3''-[Nitrilotris[2,1-ethanediyl(cyclododecylamino)]]tris[propanenitrile] 3-[[2-(bis{2-[(2-cyanoethyl)(cyclododecyl)amino]ethyl}amino)ethyl](cyclododecyl)amino]propanenitrile
Wiley ID 1574296