| SpectraBase Spectrum ID |
9zqUIe0bZ8u |
| Name |
Glutaric acid, di(4-cyanophenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.095356935 u |
| Formula |
C19H14N2O4 |
| InChI |
InChI=1S/C19H14N2O4/c20-12-14-4-8-16(9-5-14)24-18(22)2-1-3-19(23)25-17-10-6-15(13-21)7-11-17/h4-11H,1-3H2 |
| InChIKey |
GQADUDRHRQFMRI-UHFFFAOYSA-N |
| Molecular Weight |
334.331 g/mol |
| SMILES |
C(C1=CC=C(C=C1)OC(CCCC(OC1=CC=C(C=C1)C#N)=O)=O)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80123 |
