| SpectraBase Compound ID | 1nRMSIPUudK |
|---|---|
| InChI | InChI=1S/C12H8F7NO5/c1-24-8-4-6(2-3-7(8)20(22)23)5-25-9(21)10(13,14)11(15,16)12(17,18)19/h2-4H,5H2,1H3 |
| InChIKey | JYOQQFHNMLQSEM-UHFFFAOYSA-N |
| Mol Weight | 379.19 g/mol |
| Molecular Formula | C12H8F7NO5 |
| Exact Mass | 379.029069 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kh0WS9xSdz8 |
|---|---|
| Name | 3-Methoxy-4-nitrobenzyl alcohol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.029069498 u |
| Formula | C12H8F7NO5 |
| InChI | InChI=1S/C12H8F7NO5/c1-24-8-4-6(2-3-7(8)20(22)23)5-25-9(21)10(13,14)11(15,16)12(17,18)19/h2-4H,5H2,1H3 |
| InChIKey | JYOQQFHNMLQSEM-UHFFFAOYSA-N |
| Molecular Weight | 379.187 g/mol |
| SMILES | C1(=CC(=C(C=C1)N(=O)=O)OC)COC(=O)C(C(C(F)(F)F)(F)F)(F)F |