| SpectraBase Spectrum ID |
GYlyCUXdkYH |
| Name |
Methyl 5-[2-chloro-2-(4-fluorophenyl)ethyl]-4,6-dimethylsalicylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.092850300 u |
| Formula |
C18H18ClFO3 |
| InChI |
InChI=1S/C18H18ClFO3/c1-10-8-16(21)17(18(22)23-3)11(2)14(10)9-15(19)12-4-6-13(20)7-5-12/h4-8,15,21H,9H2,1-3H3 |
| InChIKey |
YYLDLUPTAVDZLW-UHFFFAOYSA-N |
| Molecular Weight |
336.790 g/mol |
| SMILES |
C1(=C(C(CC(C=2C=CC(=CC2)F)Cl)=C(C=C1O)C)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929719 |
![Methyl 5-[2-chloro-2-(4-fluorophenyl)ethyl]-4,6-dimethylsalicylate](/api/spectrum/GYlyCUXdkYH/structure.png?h=300&w=458 "Methyl 5-[2-chloro-2-(4-fluorophenyl)ethyl]-4,6-dimethylsalicylate")
