| SpectraBase Spectrum ID |
Egc9xapa4A3 |
| Name |
(+)-(3S,4S)-N-benzyl-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-ethyl-1,2,3,4-tetraisoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.240958543 u |
| Formula |
C28H33NO4 |
| InChI |
InChI=1S/C28H33NO4/c1-6-22-23-16-27(33-5)26(32-4)15-21(23)18-29(17-19-10-8-7-9-11-19)28(22)20-12-13-24(30-2)25(14-20)31-3/h7-16,22,28H,6,17-18H2,1-5H3/t22-,28+/m0/s1 |
| InChIKey |
PPPWXKFZSBOXFZ-RBISFHTESA-N |
| Molecular Weight |
447.575 g/mol |
| SMILES |
[C@]1(N(CC=2C([C@@]1(CC)[H])=CC(=C(C2)OC)OC)CC=1C=CC=CC1)(C1=CC(OC)=C(C=C1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974667 |
