| SpectraBase Spectrum ID |
67ZX2DaXseg |
| Name |
Benzyl 1-(2,4,6-trimethoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
433.188922968 u |
| Formula |
C26H27NO5 |
| InChI |
InChI=1S/C26H27NO5/c1-29-20-15-22(30-2)24(23(16-20)31-3)25-21-12-8-7-11-19(21)13-14-27(25)26(28)32-17-18-9-5-4-6-10-18/h4-12,15-16,25H,13-14,17H2,1-3H3 |
| InChIKey |
QOPSEYWCCSREMV-UHFFFAOYSA-N |
| Molecular Weight |
433.504 g/mol |
| SMILES |
C1(N(CCC2=CC=CC=C12)C(OCC1=CC=CC=C1)=O)C=1C(=CC(=CC1OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926547 |
