For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

rac-2,2'-Di-(2-bromobenzyl)-6,6',7,7'-tetramethoxy-1,1',2,2',3,3',4,4',octahydro-1,1'bisisoquinoline

View entire compound with spectra: 1 NMR, and 1 MS (GC)

rac-2,2'-Di-(2-bromobenzyl)-6,6',7,7'-tetramethoxy-1,1',2,2',3,3',4,4',octahydro-1,1'bisisoquinoline
SpectraBase Compound ID CunjCvgyFqs
InChI InChI=1S/C36H38Br2N2O4/c1-41-31-17-23-13-15-39(21-25-9-5-7-11-29(25)37)35(27(23)19-33(31)43-3)36-28-20-34(44-4)32(42-2)18-24(28)14-16-40(36)22-26-10-6-8-12-30(26)38/h5-12,17-20,35-36H,13-16,21-22H2,1-4H3/t35-,36-/m0/s1
InChIKey BUTPJHVSXYQFKO-ZPGRZCPFSA-N
Mol Weight 722.5 g/mol
Molecular Formula C36H38Br2N2O4
Exact Mass 720.119834 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BJu25BjUO1T
Name rac-2,2'-di-(2-Bromobenzyl)-6,6',7,7'-tetramethoxy-1,1',2,2',3,3',4,4',octahydro-1,1'bisisoquinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 720.119833708 u
Formula C36H38Br2N2O4
InChI InChI=1S/C36H38Br2N2O4/c1-41-31-17-23-13-15-39(21-25-9-5-7-11-29(25)37)35(27(23)19-33(31)43-3)36-28-20-34(44-4)32(42-2)18-24(28)14-16-40(36)22-26-10-6-8-12-30(26)38/h5-12,17-20,35-36H,13-16,21-22H2,1-4H3/t35-,36-/m0/s1
InChIKey BUTPJHVSXYQFKO-ZPGRZCPFSA-N
Molecular Weight 722.518 g/mol
SMILES [C@@]1([C@]2(N(CC3=C(Br)C=CC=C3)CCC3=C2C=C(C(OC)=C3)OC)[H])(N(CC=2C(Br)=CC=CC2)CCC=2C1=CC(=C(OC)C2)OC)[H]