| SpectraBase Spectrum ID |
AT6tyA0oQtZ |
| Name |
2-Benzoyl-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinecarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.131742445 u |
| Formula |
C19H18N2O3 |
| InChI |
InChI=1S/C19H18N2O3/c1-23-17-10-14-8-9-21(19(22)13-6-4-3-5-7-13)16(12-20)15(14)11-18(17)24-2/h3-7,10-11,16H,8-9H2,1-2H3 |
| InChIKey |
ZSUZEIPCMWBNCP-UHFFFAOYSA-N |
| Molecular Weight |
322.364 g/mol |
| SMILES |
C1(N(CCC=2C=C(C(=CC12)OC)OC)C(C=1C=CC=CC1)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820913 |
