| SpectraBase Spectrum ID |
3HjpfhUoDAS |
| Name |
3-Trifluoromethylbenzoic anhydride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.037763093 u |
| Formula |
C16H8F6O3 |
| InChI |
InChI=1S/C16H8F6O3/c17-15(18,19)11-5-1-3-9(7-11)13(23)25-14(24)10-4-2-6-12(8-10)16(20,21)22/h1-8H |
| InChIKey |
BYLMYFXAIMTZIC-UHFFFAOYSA-N |
| Molecular Weight |
362.227 g/mol |
| SMILES |
C1(=CC(=CC=C1)C(=O)OC(C1=CC(C(F)(F)F)=CC=C1)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855701 |
