| SpectraBase Spectrum ID |
hGr57j4vBX |
| Name |
6'-Cyano-5'-hydroxy[m-terphenyl]-4'-carboxylic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.120843408 u |
| Formula |
C22H17NO3 |
| InChI |
InChI=1S/C22H17NO3/c1-2-26-22(25)20-18(16-11-7-4-8-12-16)13-17(19(14-23)21(20)24)15-9-5-3-6-10-15/h3-13,24H,2H2,1H3 |
| InChIKey |
CTSHZKXNMJKFNK-UHFFFAOYSA-N |
| Molecular Weight |
343.382 g/mol |
| SMILES |
OC=1C(=C(C=C(C1C(OCC)=O)C=1C=CC=CC1)C=1C=CC=CC1)C#N |
| Spectrum/Structure Validation Score (Raman) |
0.961889 |
![6'-Cyano-5'-hydroxy[m-terphenyl]-4'-carboxylic acid, ethyl ester](/api/spectrum/hGr57j4vBX/structure.png?h=300&w=458 "6'-Cyano-5'-hydroxy[m-terphenyl]-4'-carboxylic acid, ethyl ester")
