| SpectraBase Spectrum ID |
ER04AdMd8Be |
| Name |
Methyl 6-[chloro(difluoro)methyl]-3-(3-chloropropyl)-2-hydroxy-4-methylbenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.028806034 u |
| Formula |
C13H14Cl2F2O3 |
| InChI |
InChI=1S/C13H14Cl2F2O3/c1-7-6-9(13(15,16)17)10(12(19)20-2)11(18)8(7)4-3-5-14/h6,18H,3-5H2,1-2H3 |
| InChIKey |
ZKFIZUVZBUKCDY-UHFFFAOYSA-N |
| Molecular Weight |
327.155 g/mol |
| SMILES |
C(C=1C(=C(C(=CC1C(F)(F)Cl)C)CCCCl)O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906435 |
