| SpectraBase Spectrum ID |
2dErAx6EZ39 |
| Name |
1,3-Benzenediol, o-methoxyacetyl-o'-(3-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)24-13-6-3-7-14(9-13)25-16(22)11-4-2-5-12(8-11)17(18,19)20/h2-9H,10H2,1H3 |
| InChIKey |
RPMZBQNDXXAINY-UHFFFAOYSA-N |
| Molecular Weight |
354.281 g/mol |
| SMILES |
C1=C(C=CC=C1OC(=O)COC)OC(=O)C1=CC(C(F)(F)F)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946978 |
