| SpectraBase Compound ID | KqPebbNQqfC |
|---|---|
| InChI | InChI=1S/C13H11NO5/c1-9-11(6-7-18-9)8-19-13(15)10-2-4-12(5-3-10)14(16)17/h2-7H,8H2,1H3 |
| InChIKey | ZNSZZILZSSKWGB-UHFFFAOYSA-N |
| Mol Weight | 261.23 g/mol |
| Molecular Formula | C13H11NO5 |
| Exact Mass | 261.063722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | yDMlYgT7rl |
|---|---|
| Name | Benzoic acid, 4-nitro-, (2-methyl-3-furanyl)methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.063722453 u |
| Formula | C13H11NO5 |
| InChI | InChI=1S/C13H11NO5/c1-9-11(6-7-18-9)8-19-13(15)10-2-4-12(5-3-10)14(16)17/h2-7H,8H2,1H3 |
| InChIKey | ZNSZZILZSSKWGB-UHFFFAOYSA-N |
| Molecular Weight | 261.233 g/mol |
| SMILES | CC1=C(COC(C2=CC=C(N(=O)=O)C=C2)=O)C=CO1 |