| SpectraBase Spectrum ID |
CXC6AcOWdmE |
| Name |
1,2-Benzenediol, o-acetoxyacetyl-o'-(2,3,4-trifluorobenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.050772557 u |
| Formula |
C17H11F3O6 |
| InChI |
InChI=1S/C17H11F3O6/c1-9(21)24-8-14(22)25-12-4-2-3-5-13(12)26-17(23)10-6-7-11(18)16(20)15(10)19/h2-7H,8H2,1H3 |
| InChIKey |
DNMMDAZAFMRQQH-UHFFFAOYSA-N |
| Molecular Weight |
368.264 g/mol |
| SMILES |
C1(=CC=C(C(=C1F)F)C(OC1=CC=CC=C1OC(=O)COC(C)=O)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959367 |
