| SpectraBase Spectrum ID |
GMMr5n44aTY |
| Name |
3,6-Dichloro-2-methoxybenzoic acid,pentafluorobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.969240297 u |
| Formula |
C15H7Cl2F5O3 |
| InChI |
InChI=1S/C15H7Cl2F5O3/c1-24-14-7(17)3-2-6(16)8(14)15(23)25-4-5-9(18)11(20)13(22)12(21)10(5)19/h2-3H,4H2,1H3 |
| InChIKey |
GJDVJKOVZTUAOF-UHFFFAOYSA-N |
| Molecular Weight |
401.116 g/mol |
| SMILES |
C1(=C(C(F)=C(C(=C1F)F)F)F)COC(C=1C(Cl)=CC=C(C1OC)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812725 |
