| SpectraBase Spectrum ID |
Ag4zP6sllKg |
| Name |
2-Isoquinolineacetamide, N-(2-cyano-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.158291545 u |
| Formula |
C20H21N3O3 |
| InChI |
InChI=1S/C20H21N3O3/c1-25-18-9-16(11-21)17(10-19(18)26-2)22-20(24)13-23-8-7-14-5-3-4-6-15(14)12-23/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,22,24) |
| InChIKey |
YABBPPXKDYDMTL-UHFFFAOYSA-N |
| Molecular Weight |
351.406 g/mol |
| SMILES |
C1(=C(OC)C=C(C(=C1)C#N)NC(CN1CC2=C(C=CC=C2)CC1)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857668 |
