| SpectraBase Spectrum ID |
IjJ9aSC7Qca |
| Name |
Succinic 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 |
320.079706870 u |
| Formula |
C18H12N2O4 |
| InChI |
InChI=1S/C18H12N2O4/c19-11-13-1-5-15(6-2-13)23-17(21)9-10-18(22)24-16-7-3-14(12-20)4-8-16/h1-8H,9-10H2 |
| InChIKey |
ZSXZIPXJWLPCKL-UHFFFAOYSA-N |
| Molecular Weight |
320.304 g/mol |
| SMILES |
C(CCC(=O)OC1=CC=C(C#N)C=C1)(=O)OC1=CC=C(C#N)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93341 |
