| SpectraBase Spectrum ID |
6qDikZBp1ei |
| Name |
4-Cyanobenzene-1,3-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
219.053157770 u |
| Formula |
C11H9NO4 |
| InChI |
InChI=1S/C11H9NO4/c1-15-10(13)7-3-4-8(6-12)9(5-7)11(14)16-2/h3-5H,1-2H3 |
| InChIKey |
KQUBERVRHAWWQG-UHFFFAOYSA-N |
| Molecular Weight |
219.196 g/mol |
| SMILES |
C1(=CC(C(=O)OC)=CC=C1C#N)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975304 |
