| SpectraBase Spectrum ID |
EstNOF4Fvmp |
| Name |
1,3-Benzenediol, o-methoxycarbonyl-o'-(2-trifluoromethylbenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.055857938 u |
| Formula |
C16H11F3O5 |
| InChI |
InChI=1S/C16H11F3O5/c1-22-15(21)24-11-6-4-5-10(9-11)23-14(20)12-7-2-3-8-13(12)16(17,18)19/h2-9H,1H3 |
| InChIKey |
FKVNTIPTDHGQHA-UHFFFAOYSA-N |
| Molecular Weight |
340.254 g/mol |
| SMILES |
C1(=CC=CC(=C1)OC(=O)C1=C(C=CC=C1)C(F)(F)F)OC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904545 |
