| SpectraBase Spectrum ID |
FQEJtq3arGf |
| Name |
m-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/c1-11-3-2-4-13(9-11)15(17)18-14-7-5-12(10-16)6-8-14/h2-9H,1H3 |
| InChIKey |
MXIPYKKEKKPXKQ-UHFFFAOYSA-N |
| Molecular Weight |
237.258 g/mol |
| SMILES |
C1(=CC=CC(=C1)C(OC1=CC=C(C#N)C=C1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807094 |
