| SpectraBase Spectrum ID |
6pIy0wOTz37 |
| Name |
2-Chloro-6-(3-formylphenoxy)benzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.024356200 u |
| Formula |
C14H8ClNO2 |
| InChI |
InChI=1S/C14H8ClNO2/c15-13-5-2-6-14(12(13)8-16)18-11-4-1-3-10(7-11)9-17/h1-7,9H |
| InChIKey |
JNXCPCGQBYJHJW-UHFFFAOYSA-N |
| Molecular Weight |
257.676 g/mol |
| SMILES |
C1(=C(OC2=CC=CC(C=O)=C2)C=CC=C1Cl)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932196 |
