| SpectraBase Spectrum ID |
H3OrnxJZlsI |
| Name |
Methyl 6-[chloro(difluoro)methyl]-2-hydroxy-4-methyl-3-(2-phenylethyl)benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.083428430 u |
| Formula |
C18H17ClF2O3 |
| InChI |
InChI=1S/C18H17ClF2O3/c1-11-10-14(18(19,20)21)15(17(23)24-2)16(22)13(11)9-8-12-6-4-3-5-7-12/h3-7,10,22H,8-9H2,1-2H3 |
| InChIKey |
OOJBLEBEICXBAO-UHFFFAOYSA-N |
| Molecular Weight |
354.781 g/mol |
| SMILES |
C(C=1C(=C(C(=CC1C(F)(F)Cl)C)CCC=1C=CC=CC1)O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877733 |
![Methyl 6-[chloro(difluoro)methyl]-2-hydroxy-4-methyl-3-(2-phenylethyl)benzoate](/api/spectrum/H3OrnxJZlsI/structure.png?h=300&w=458 "Methyl 6-[chloro(difluoro)methyl]-2-hydroxy-4-methyl-3-(2-phenylethyl)benzoate")
