| SpectraBase Compound ID | FihuzBNVv3i |
|---|---|
| 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 |
| Mol Weight | 362.23 g/mol |
| Molecular Formula | C16H8F6O3 |
| Exact Mass | 362.037763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 916LvErH1xR |
|---|---|
| Name | 3-Trifluoromethylbenzoic anhydride |
| Comments | Computed using HOSE algorithm |
| 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 |