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3,12-Dibenzyl-6,9-dimethyl-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene
SpectraBase Compound ID 3w9o3Vvjx2f
InChI InChI=1S/C31H41N3/c1-26-16-17-27(2)19-21-34(23-29-12-7-4-8-13-29)25-31-15-9-14-30(32-31)24-33(20-18-26)22-28-10-5-3-6-11-28/h3-15,26-27H,16-25H2,1-2H3
InChIKey FTFUEXCBEVTKIH-UHFFFAOYSA-N
Mol Weight 455.7 g/mol
Molecular Formula C31H41N3
Exact Mass 455.330048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID U2gxLAYxE
Name 3,12-Dibenzyl-6,9-dimethyl-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene
Alternate Name(s) 3,12-dibenzyl-6,9-dimethyl-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H41N3
InChI InChI=1S/C31H41N3/c1-26-16-17-27(2)19-21-34(23-29-12-7-4-8-13-29)25-31-15-9-14-30(32-31)24-33(20-18-26)22-28-10-5-3-6-11-28/h3-15,26-27H,16-25H2,1-2H3
InChIKey FTFUEXCBEVTKIH-UHFFFAOYSA-N
Molecular Weight 455.690 g/mol
SMILES c12CN(CCC(CCC(CCN(Cc(ccc2)n1)Cc1ccccc1)C)C)Cc1ccccc1
SPLASH splash10-0a4i-4618900000-37c9a22f38730a1d2ad6
Source of Spectrum K1-2000-2376-29
Wiley ID 814764