| SpectraBase Spectrum ID |
EVy8RmSIwB3 |
| Name |
1-Pyrazineacetamide, N-(2-cyano-4,5-dimethoxyphenyl)hexahydro-4-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.184840646 u |
| Formula |
C21H24N4O3 |
| InChI |
InChI=1S/C21H24N4O3/c1-27-19-12-16(14-22)18(13-20(19)28-2)23-21(26)15-24-8-10-25(11-9-24)17-6-4-3-5-7-17/h3-7,12-13H,8-11,15H2,1-2H3,(H,23,26) |
| InChIKey |
JGZWRPZUPWCPMT-UHFFFAOYSA-N |
| Molecular Weight |
380.448 g/mol |
| SMILES |
C1(OC)=CC(C#N)=C(C=C1OC)NC(CN1CCN(C=2C=CC=CC2)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914662 |
