| SpectraBase Spectrum ID |
8y4J1lDx3ZO |
| Name |
1-Isoquinolinemethanol, 1,2,3,4-tetrahydro-.alpha.-phenyl-2-(triphenylacetyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
509.235479240 u |
| Formula |
C36H31NO2 |
| InChI |
InChI=1S/C36H31NO2/c38-34(28-16-5-1-6-17-28)33-32-24-14-13-15-27(32)25-26-37(33)35(39)36(29-18-7-2-8-19-29,30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-24,33-34,38H,25-26H2 |
| InChIKey |
PFKCPSWJDPSOPS-UHFFFAOYSA-N |
| Molecular Weight |
509.649 g/mol |
| SMILES |
C1=CC=CC=C1C(C(=O)N1C(C(C=2C=CC=CC2)O)C2=CC=CC=C2CC1)(C=1C=CC=CC1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95329 |
