| SpectraBase Compound ID | 3iQiPgu0He3 |
|---|---|
| InChI | InChI=1S/C10H6F5NO4/c11-9(12,10(13,14)15)8(17)20-5-6-2-1-3-7(4-6)16(18)19/h1-4H,5H2 |
| InChIKey | BIGJTYYYNLMSSD-UHFFFAOYSA-N |
| Mol Weight | 299.15 g/mol |
| Molecular Formula | C10H6F5NO4 |
| Exact Mass | 299.021698 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HBnmtlTmSh3 |
|---|---|
| Name | 3-Nitrobenzyl alcohol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.021698488 u |
| Formula | C10H6F5NO4 |
| InChI | InChI=1S/C10H6F5NO4/c11-9(12,10(13,14)15)8(17)20-5-6-2-1-3-7(4-6)16(18)19/h1-4H,5H2 |
| InChIKey | BIGJTYYYNLMSSD-UHFFFAOYSA-N |
| Molecular Weight | 299.153 g/mol |
| SMILES | C1=C(C=CC=C1COC(C(C(F)(F)F)(F)F)=O)N(=O)=O |