| SpectraBase Spectrum ID |
C6I9KG0QCfG |
| Name |
1,3-Benzenediol, o-methoxyacetyl-o'-(2-trifluoromethylbenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.071508003 u |
| Formula |
C17H13F3O5 |
| InChI |
InChI=1S/C17H13F3O5/c1-23-10-15(21)24-11-5-4-6-12(9-11)25-16(22)13-7-2-3-8-14(13)17(18,19)20/h2-9H,10H2,1H3 |
| InChIKey |
ODQMPGCAZGJZQC-UHFFFAOYSA-N |
| Molecular Weight |
354.281 g/mol |
| SMILES |
C1(=CC(=CC=C1)OC(=O)C1=C(C=CC=C1)C(F)(F)F)OC(COC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919381 |
