| SpectraBase Compound ID | FdvuKu9rva7 |
|---|---|
| InChI | InChI=1S/C10H8F3NO5/c1-18-8-4-6(2-3-7(8)14(16)17)5-19-9(15)10(11,12)13/h2-4H,5H2,1H3 |
| InChIKey | PAEOCFPHRXWWQB-UHFFFAOYSA-N |
| Mol Weight | 279.17 g/mol |
| Molecular Formula | C10H8F3NO5 |
| Exact Mass | 279.035457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2iEsZnmwVMa |
|---|---|
| Name | 3-Methoxy-4-nitrobenzyl alcohol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.035456846 u |
| Formula | C10H8F3NO5 |
| InChI | InChI=1S/C10H8F3NO5/c1-18-8-4-6(2-3-7(8)14(16)17)5-19-9(15)10(11,12)13/h2-4H,5H2,1H3 |
| InChIKey | PAEOCFPHRXWWQB-UHFFFAOYSA-N |
| Molecular Weight | 279.171 g/mol |
| SMILES | C1(=CC(=C(C=C1)N(=O)=O)OC)COC(C(F)(F)F)=O |