| SpectraBase Spectrum ID |
8R9sc2ibc5Z |
| Name |
Methyl 4'-chloro-3-hydroxy-2-methyl-5-(trifluoromethyl)biphenyl-4-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.042706432 u |
| Formula |
C16H12ClF3O3 |
| InChI |
InChI=1S/C16H12ClF3O3/c1-8-11(9-3-5-10(17)6-4-9)7-12(16(18,19)20)13(14(8)21)15(22)23-2/h3-7,21H,1-2H3 |
| InChIKey |
PACMXLONPWJQPN-UHFFFAOYSA-N |
| Molecular Weight |
344.717 g/mol |
| SMILES |
C1(=C(C(F)(F)F)C=C(C(=C1O)C)C1=CC=C(C=C1)Cl)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894693 |
