| SpectraBase Spectrum ID |
Czg4YO25IDQ |
| Name |
Phthalic acid, 4-cyanophenyl phenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.084457899 u |
| Formula |
C21H13NO4 |
| InChI |
InChI=1S/C21H13NO4/c22-14-15-10-12-17(13-11-15)26-21(24)19-9-5-4-8-18(19)20(23)25-16-6-2-1-3-7-16/h1-13H |
| InChIKey |
XMNYUMCUEQEPLE-UHFFFAOYSA-N |
| Molecular Weight |
343.338 g/mol |
| SMILES |
C1(=C(C=CC=C1)C(OC1=CC=C(C#N)C=C1)=O)C(OC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957087 |
