| SpectraBase Spectrum ID |
KRAFsMpuWyn |
| Name |
Benzamide, 3,4-dichloro-N-(4-cyanomethylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.017018349 u |
| Formula |
C15H10Cl2N2O |
| InChI |
InChI=1S/C15H10Cl2N2O/c16-13-6-3-11(9-14(13)17)15(20)19-12-4-1-10(2-5-12)7-8-18/h1-6,9H,7H2,(H,19,20) |
| InChIKey |
RLYLWAQJILPZNE-UHFFFAOYSA-N |
| Molecular Weight |
305.164 g/mol |
| SMILES |
C(C1=CC(Cl)=C(C=C1)Cl)(NC1=CC=C(CC#N)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952986 |
