| SpectraBase Spectrum ID |
90tots7GjnO |
| Name |
Methyl 6-[chloro(difluoro)methyl]-3-[(4-fluorophenyl)methyl]-2-hydroxy-4-methylbenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.058356497 u |
| Formula |
C17H14ClF3O3 |
| InChI |
InChI=1S/C17H14ClF3O3/c1-9-7-13(17(18,20)21)14(16(23)24-2)15(22)12(9)8-10-3-5-11(19)6-4-10/h3-7,22H,8H2,1-2H3 |
| InChIKey |
CMSLHJROMSECCJ-UHFFFAOYSA-N |
| Molecular Weight |
358.744 g/mol |
| SMILES |
C(C=1C(=C(C(=CC1C(F)(F)Cl)C)CC=1C=CC(=CC1)F)O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810305 |
![Methyl 6-[chloro(difluoro)methyl]-3-[(4-fluorophenyl)methyl]-2-hydroxy-4-methylbenzoate](/api/spectrum/90tots7GjnO/structure.png?h=300&w=458 "Methyl 6-[chloro(difluoro)methyl]-3-[(4-fluorophenyl)methyl]-2-hydroxy-4-methylbenzoate")
