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N,N',N''-Tris-(4-phenylbutyl)-1e,3e,5e-cyclohexanetrimethanamine-trihydrochloride
SpectraBase Compound ID 8yYVAMBxm0S
InChI InChI=1S/C39H57N3/c1-4-16-34(17-5-1)22-10-13-25-40-31-37-28-38(32-41-26-14-11-23-35-18-6-2-7-19-35)30-39(29-37)33-42-27-15-12-24-36-20-8-3-9-21-36/h1-9,16-21,37-42H,10-15,22-33H2/t37-,38+,39-
InChIKey UMGHDWDBYGBXCF-CQWHFZLFSA-N
Mol Weight 567.9 g/mol
Molecular Formula C39H57N3
Exact Mass 567.455249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8atDKdNd00o
Name N,N',N''-Tris-(4-phenylbutyl)-1e,3e,5e-cyclohexanetrimethanamine-trihydrochloride
Alternate Name(s) N,N',N''-(((1s,3s,5s)-cyclohexane-1,3,5-triyl)tris(methylene))tris(4-phenylbutan-1-amine)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H57N3
InChI InChI=1S/C39H57N3/c1-4-16-34(17-5-1)22-10-13-25-40-31-37-28-38(32-41-26-14-11-23-35-18-6-2-7-19-35)30-39(29-37)33-42-27-15-12-24-36-20-8-3-9-21-36/h1-9,16-21,37-42H,10-15,22-33H2/t37-,38+,39-
InChIKey UMGHDWDBYGBXCF-CQWHFZLFSA-N
Molecular Weight 567.906 g/mol
SMILES N(C[C@@]1(C[C@@](C[C@](CNCCCCc2ccccc2)(C1)[H])(CNCCCCc1ccccc1)[H])[H])CCCCc1ccccc1
SPLASH splash10-03dl-5910000000-fb0594403d733c14670d
Source of Spectrum APC-320-835-12
Wiley ID 1788377