| SpectraBase Compound ID | mg81RCdND3 |
|---|---|
| InChI | InChI=1S/C15H10F3NO4/c16-15(17,18)14(20)23-13-7-6-11(9-12(13)19(21)22)8-10-4-2-1-3-5-10/h1-7,9H,8H2 |
| InChIKey | QNADVTQVUSYYKB-UHFFFAOYSA-N |
| Mol Weight | 325.24 g/mol |
| Molecular Formula | C15H10F3NO4 |
| Exact Mass | 325.056192 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7yNh2K2SW6c |
|---|---|
| Name | 4-Benzyl-2-nitrophenol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.056192291 u |
| Formula | C15H10F3NO4 |
| InChI | InChI=1S/C15H10F3NO4/c16-15(17,18)14(20)23-13-7-6-11(9-12(13)19(21)22)8-10-4-2-1-3-5-10/h1-7,9H,8H2 |
| InChIKey | QNADVTQVUSYYKB-UHFFFAOYSA-N |
| Molecular Weight | 325.243 g/mol |
| SMILES | C1(N(=O)=O)=C(C=CC(=C1)CC1=CC=CC=C1)OC(C(F)(F)F)=O |