| SpectraBase Spectrum ID |
Co9b4pYosps |
| Name |
Glutaric acid, 4-cyanophenyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.100107963 u |
| Formula |
C14H15NO4 |
| InChI |
InChI=1S/C14H15NO4/c1-2-18-13(16)4-3-5-14(17)19-12-8-6-11(10-15)7-9-12/h6-9H,2-5H2,1H3 |
| InChIKey |
RJYLVFHPOHIKBX-UHFFFAOYSA-N |
| Molecular Weight |
261.277 g/mol |
| SMILES |
C(C1=CC=C(OC(=O)CCCC(OCC)=O)C=C1)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872103 |
