| SpectraBase Spectrum ID |
2B4Icr7GeTa |
| Name |
Methyl 6-(2-chloroethyl)-4'-fluoro-3-hydroxy-5-methylbiphenyl-2-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.077200235 u |
| Formula |
C17H16ClFO3 |
| InChI |
InChI=1S/C17H16ClFO3/c1-10-9-14(20)16(17(21)22-2)15(13(10)7-8-18)11-3-5-12(19)6-4-11/h3-6,9,20H,7-8H2,1-2H3 |
| InChIKey |
DWZXRLDIAKHIJD-UHFFFAOYSA-N |
| Molecular Weight |
322.763 g/mol |
| SMILES |
C=1(C(=C(CCCl)C(=CC1O)C)C=1C=CC(=CC1)F)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906473 |
