| SpectraBase Spectrum ID |
5Dry3zhnLkR |
| Name |
Methyl 5-[2-chloro-2-(4-fluorophenyl)ethyl]-3-ethyl-4,6-dimethylsalicylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.124150428 u |
| Formula |
C20H22ClFO3 |
| InChI |
InChI=1S/C20H22ClFO3/c1-5-15-11(2)16(12(3)18(19(15)23)20(24)25-4)10-17(21)13-6-8-14(22)9-7-13/h6-9,17,23H,5,10H2,1-4H3 |
| InChIKey |
LKZJVRQNJUWIOI-UHFFFAOYSA-N |
| Molecular Weight |
364.844 g/mol |
| SMILES |
C1(=C(C(CC(C=2C=CC(=CC2)F)Cl)=C(C(=C1O)CC)C)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869931 |
![Methyl 5-[2-chloro-2-(4-fluorophenyl)ethyl]-3-ethyl-4,6-dimethylsalicylate](/api/spectrum/5Dry3zhnLkR/structure.png?h=300&w=458 "Methyl 5-[2-chloro-2-(4-fluorophenyl)ethyl]-3-ethyl-4,6-dimethylsalicylate")
