| SpectraBase Spectrum ID |
4GW9B9p7GGP |
| Name |
Isoquinoline, 1-benzyl-7,3',4'-tribenzyloxy-3,4-dihydro-6-methoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
569.256608607 u |
| Formula |
C38H35NO4 |
| InChI |
InChI=1S/C38H35NO4/c1-40-36-23-32-19-20-39-34(33(32)24-38(36)43-27-30-15-9-4-10-16-30)21-31-17-18-35(41-25-28-11-5-2-6-12-28)37(22-31)42-26-29-13-7-3-8-14-29/h2-18,22-24H,19-21,25-27H2,1H3 |
| InChIKey |
ZPKCIZJNUVWJET-UHFFFAOYSA-N |
| Molecular Weight |
569.701 g/mol |
| SMILES |
C12=C(C=C(C(=C2)OCC2=CC=CC=C2)OC)CCN=C1CC1=CC(=C(C=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942237 |
