| SpectraBase Compound ID | GVZQvekifXW |
|---|---|
| InChI | InChI=1S/C12H8F7NO4/c13-10(14,11(15,16)12(17,18)19)9(21)24-6-5-7-3-1-2-4-8(7)20(22)23/h1-4H,5-6H2 |
| InChIKey | OMGFDDRBTWFKTL-UHFFFAOYSA-N |
| Mol Weight | 363.19 g/mol |
| Molecular Formula | C12H8F7NO4 |
| Exact Mass | 363.034155 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ABOqZTgjfDM |
|---|---|
| Name | 2-Nitrophenethyl alcohol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.034154879 u |
| Formula | C12H8F7NO4 |
| InChI | InChI=1S/C12H8F7NO4/c13-10(14,11(15,16)12(17,18)19)9(21)24-6-5-7-3-1-2-4-8(7)20(22)23/h1-4H,5-6H2 |
| InChIKey | OMGFDDRBTWFKTL-UHFFFAOYSA-N |
| Molecular Weight | 363.188 g/mol |
| SMILES | C1(=C(C=CC=C1)N(=O)=O)CCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |