| SpectraBase Spectrum ID |
35HJguMS4J5 |
| Name |
2-Hydroxy-3-cyano-1-phenyl-4-(4-chlorophenyl)-2-cyclopentene-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.071306393 u |
| Formula |
C18H14ClNO2 |
| InChI |
InChI=1S/C18H14ClNO2/c19-14-8-6-12(7-9-14)15-10-18(22,17(21)16(15)11-20)13-4-2-1-3-5-13/h1-9,15,21-22H,10H2 |
| InChIKey |
XKGPBOZMTRSUHU-UHFFFAOYSA-N |
| Molecular Weight |
311.768 g/mol |
| SMILES |
C1(=C(C(C2=CC=CC=C2)(O)CC1C=1C=CC(=CC1)Cl)O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852406 |
