| SpectraBase Spectrum ID |
CcJuR2bK5vg |
| Name |
6'-Chloro-alpha,alpha,alpha-trifluoro-3,4,5-trimethoxy-m-benzotoluidide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.064170152 u |
| Formula |
C17H15ClF3NO4 |
| InChI |
InChI=1S/C17H15ClF3NO4/c1-24-13-6-9(7-14(25-2)15(13)26-3)16(23)22-12-8-10(17(19,20)21)4-5-11(12)18/h4-8H,1-3H3,(H,22,23) |
| InChIKey |
MPNVVPNTXHUFJK-UHFFFAOYSA-N |
| Molecular Weight |
389.758 g/mol |
| SMILES |
N(C1=C(C=CC(=C1)C(F)(F)F)Cl)C(C=1C=C(C(=C(C1)OC)OC)OC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.899614 |
