| SpectraBase Spectrum ID |
JlklEl5h80Z |
| Name |
2-Benzyl-3-(4-methoxyphenyl)-3,4,4A,7-tetrahydroisoquinolin-1(2H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.172878983 u |
| Formula |
C23H23NO2 |
| InChI |
InChI=1S/C23H23NO2/c1-26-20-13-11-18(12-14-20)22-15-19-9-5-6-10-21(19)23(25)24(22)16-17-7-3-2-4-8-17/h2-5,7-14,19,22H,6,15-16H2,1H3 |
| InChIKey |
ORPXJMCCCCSVNI-UHFFFAOYSA-N |
| Molecular Weight |
345.442 g/mol |
| SMILES |
C1(N(C(CC2C=CCC=C12)C1=CC=C(C=C1)OC)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956373 |
