| SpectraBase Spectrum ID |
EjcbMdFkboN |
| Name |
o-Toluic acid, 4-cyanophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.078978596 u |
| Formula |
C15H11NO2 |
| InChI |
InChI=1S/C15H11NO2/c1-11-4-2-3-5-14(11)15(17)18-13-8-6-12(10-16)7-9-13/h2-9H,1H3 |
| InChIKey |
FSXGXLHUUDLHFG-UHFFFAOYSA-N |
| Molecular Weight |
237.258 g/mol |
| SMILES |
C1=CC=CC(=C1C)C(OC=1C=CC(C#N)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830881 |
