| SpectraBase Spectrum ID |
IZbKD5siztn |
| Name |
N-(2-Cyanothioacrylamide-3-yl)-3-phthalimidopropanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.063011433 u |
| Formula |
C15H12N4O3S |
| InChI |
InChI=1S/C15H12N4O3S/c16-7-9(13(17)23)8-18-12(20)5-6-19-14(21)10-3-1-2-4-11(10)15(19)22/h1-4,8H,5-6H2,(H2,17,23)(H,18,20)/b9-8- |
| InChIKey |
DPQJGYOYUYBJKE-HJWRWDBZSA-N |
| Molecular Weight |
328.346 g/mol |
| SMILES |
C12=CC=CC=C2C(=O)N(C1=O)CCC(N\C=C/(C(N)=S)C#N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966289 |
