| SpectraBase Spectrum ID |
CBl004Wl4HA |
| Name |
2-Benzyl-3-(4-methoxyphenyl)-6-chloro-7,8-dihydroisoquinolin-1(2H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.118256586 u |
| Formula |
C23H20ClNO2 |
| InChI |
InChI=1S/C23H20ClNO2/c1-27-20-10-7-17(8-11-20)22-14-18-13-19(24)9-12-21(18)23(26)25(22)15-16-5-3-2-4-6-16/h2-8,10-11,13-14H,9,12,15H2,1H3 |
| InChIKey |
BTZYHWFDJOWIDJ-UHFFFAOYSA-N |
| Molecular Weight |
377.871 g/mol |
| SMILES |
C1(N(C(=CC=2C=C(CCC12)Cl)C1=CC=C(C=C1)OC)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861365 |
