| SpectraBase Spectrum ID |
JrrJuiF0iws |
| Name |
3-Methylbut-2-enoic acid, 4-cyanophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
201.078978596 u |
| Formula |
C12H11NO2 |
| InChI |
InChI=1S/C12H11NO2/c1-9(2)7-12(14)15-11-5-3-10(8-13)4-6-11/h3-7H,1-2H3 |
| InChIKey |
KQIOMMKFZCDOIT-UHFFFAOYSA-N |
| Molecular Weight |
201.225 g/mol |
| SMILES |
CC(C)=CC(OC=1C=CC(C#N)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891764 |
