| SpectraBase Spectrum ID |
9iKaTfUHMPm |
| Name |
rac-2,2'-di-(2-Hydroxybenzyl)-6,6',7,7'-tetramethoxy-1,1',2,2',3,3',4,4',octahydro-1,1'bisisoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
596.288637010 u |
| Formula |
C36H40N2O6 |
| InChI |
InChI=1S/C36H40N2O6/c1-41-31-17-23-13-15-37(21-25-9-5-7-11-29(25)39)35(27(23)19-33(31)43-3)36-28-20-34(44-4)32(42-2)18-24(28)14-16-38(36)22-26-10-6-8-12-30(26)40/h5-12,17-20,35-36,39-40H,13-16,21-22H2,1-4H3/t35-,36-/m0/s1 |
| InChIKey |
CMGASFSKWSATMH-ZPGRZCPFSA-N |
| Molecular Weight |
596.724 g/mol |
| SMILES |
[C@@]1([C@]2(N(CC3=C(O)C=CC=C3)CCC3=C2C=C(C(OC)=C3)OC)[H])(N(CC=2C(O)=CC=CC2)CCC=2C1=CC(=C(OC)C2)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919997 |
