SpectraBase Spectrum ID |
5rJcMfke5Ts |
Name |
Benzonitrile, 2-chloro-6-(phenylmethoxy)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
243.045091645 u |
Formula |
C14H10ClNO |
InChI |
InChI=1S/C14H10ClNO/c15-13-7-4-8-14(12(13)9-16)17-10-11-5-2-1-3-6-11/h1-8H,10H2 |
InChIKey |
CEFUICQUABSEPM-UHFFFAOYSA-N |
Molecular Weight |
243.693 g/mol |
SMILES |
C1(C#N)=C(OCC2=CC=CC=C2)C=CC=C1Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815198 |