| SpectraBase Compound ID | BvfXRdPR8me |
|---|---|
| InChI | InChI=1S/C11H6F7NO4/c12-9(13,10(14,15)11(16,17)18)8(20)23-5-6-2-1-3-7(4-6)19(21)22/h1-4H,5H2 |
| InChIKey | HWXCMQNJHLYUJP-UHFFFAOYSA-N |
| Mol Weight | 349.16 g/mol |
| Molecular Formula | C11H6F7NO4 |
| Exact Mass | 349.018505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3WiIYID17e0 |
|---|---|
| Name | 3-Nitrobenzyl alcohol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.018504814 u |
| Formula | C11H6F7NO4 |
| InChI | InChI=1S/C11H6F7NO4/c12-9(13,10(14,15)11(16,17)18)8(20)23-5-6-2-1-3-7(4-6)19(21)22/h1-4H,5H2 |
| InChIKey | HWXCMQNJHLYUJP-UHFFFAOYSA-N |
| Molecular Weight | 349.161 g/mol |
| SMILES | C1=C(C=CC=C1COC(=O)C(C(C(F)(F)F)(F)F)(F)F)N(=O)=O |