| SpectraBase Spectrum ID |
Ipv2yLZ9CEG |
| Name |
2-Benzoyl-6,7-dimethoxy-3-methyl-1,2-dihydroisoquinoline-1-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.131742445 u |
| Formula |
C20H18N2O3 |
| InChI |
InChI=1S/C20H18N2O3/c1-13-9-15-10-18(24-2)19(25-3)11-16(15)17(12-21)22(13)20(23)14-7-5-4-6-8-14/h4-11,17H,1-3H3 |
| InChIKey |
VENYNAGRXPQYBA-UHFFFAOYSA-N |
| Molecular Weight |
334.375 g/mol |
| SMILES |
C1(N(C(=CC=2C1=CC(=C(C2)OC)OC)C)C(=O)C1=CC=CC=C1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875363 |
