| SpectraBase Spectrum ID |
8sKSpM46btS |
| Name |
(E)-N'-(2-Chlorophenyl)-N'-(2-cyanoethyl)-N,N-dimethyl-2-butenediamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.093104465 u |
| Formula |
C15H16ClN3O2 |
| InChI |
InChI=1S/C15H16ClN3O2/c1-18(2)14(20)8-9-15(21)19(11-5-10-17)13-7-4-3-6-12(13)16/h3-4,6-9H,5,11H2,1-2H3/b9-8+ |
| InChIKey |
YFJBMQGGNHIHFE-CMDGGOBGSA-N |
| Molecular Weight |
305.765 g/mol |
| SMILES |
C(N(C=1C(Cl)=CC=CC1)CCC#N)(\C=C\C(N(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959335 |
