| SpectraBase Spectrum ID |
IaII0XKUgPB |
| Name |
4-(7-oxo-oct-2-Enoyl)-benzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
241.110278725 u |
| Formula |
C15H15NO2 |
| InChI |
InChI=1S/C15H15NO2/c1-12(17)5-3-2-4-6-15(18)14-9-7-13(11-16)8-10-14/h4,6-10H,2-3,5H2,1H3/b6-4+ |
| InChIKey |
UVEMOQXJMPIGIK-GQCTYLIASA-N |
| Molecular Weight |
241.290 g/mol |
| SMILES |
C=1C=C(C=CC1C#N)C(=O)\C=C\CCCC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962975 |
