N(4)-Octyl-N(1),N(7)-(4'-phenylbutyl)heptane-1,4,7-triamine - trihydrochloride - Optional[13C NMR] - Chemical Shifts

SpectraBase Compound ID	102gOvQWgKJ
InChI	InChI=1S/C35H59N3/c1-2-3-4-5-6-15-32-38-35(26-18-30-36-28-16-13-24-33-20-9-7-10-21-33)27-19-31-37-29-17-14-25-34-22-11-8-12-23-34/h7-12,20-23,35-38H,2-6,13-19,24-32H2,1H3
InChIKey	ZODWHRKPTLLPAK-UHFFFAOYSA-N Google Search
Mol Weight	521.9 g/mol
Molecular Formula	C35H59N3
Exact Mass	521.470899 g/mol

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SpectraBase Spectrum ID	583GCiiQdqr
Name	N(4)-Octyl-N(1),N(7)-(4'-phenylbutyl)heptane-1,4,7-triamine - trihydrochloride
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	521.470898912 u
Formula	C35H59N3
InChI	InChI=1S/C35H59N3/c1-2-3-4-5-6-15-32-38-35(26-18-30-36-28-16-13-24-33-20-9-7-10-21-33)27-19-31-37-29-17-14-25-34-22-11-8-12-23-34/h7-12,20-23,35-38H,2-6,13-19,24-32H2,1H3
InChIKey	ZODWHRKPTLLPAK-UHFFFAOYSA-N
Molecular Weight	521.878 g/mol
SMILES	C(NCCCCCCCC)(CCCNCCCCC=1C=CC=CC1)CCCNCCCCC1=CC=CC=C1