| SpectraBase Compound ID | GTgrXyT8TL2 |
|---|---|
| InChI | InChI=1S/C16H9F5O3/c17-15(18,16(19,20)21)14(23)24-12-8-4-7-11(9-12)13(22)10-5-2-1-3-6-10/h1-9H |
| InChIKey | VXQIWRUQWMFBPF-UHFFFAOYSA-N |
| Mol Weight | 344.24 g/mol |
| Molecular Formula | C16H9F5O3 |
| Exact Mass | 344.047185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2vsNzCxfsO7 |
|---|---|
| Name | 3-Hydroxybenzophenone, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.047184962 u |
| Formula | C16H9F5O3 |
| InChI | InChI=1S/C16H9F5O3/c17-15(18,16(19,20)21)14(23)24-12-8-4-7-11(9-12)13(22)10-5-2-1-3-6-10/h1-9H |
| InChIKey | VXQIWRUQWMFBPF-UHFFFAOYSA-N |
| Molecular Weight | 344.237 g/mol |
| SMILES | C1(OC(C(C(F)(F)F)(F)F)=O)=CC(=CC=C1)C(=O)C1=CC=CC=C1 |