| SpectraBase Compound ID | 5LeeBk7LXEE |
|---|---|
| InChI | InChI=1S/C13H11NO5/c1-9(15)18-8-12-5-6-13(19-12)10-3-2-4-11(7-10)14(16)17/h2-7H,8H2,1H3 |
| InChIKey | RHAGOEOJNKBCJO-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 | 7Z2mIygDJms |
|---|---|
| Name | 5-(m-Nitrophenyl)furfuryl alcohol, acetate |
| 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(15)18-8-12-5-6-13(19-12)10-3-2-4-11(7-10)14(16)17/h2-7H,8H2,1H3 |
| InChIKey | RHAGOEOJNKBCJO-UHFFFAOYSA-N |
| Molecular Weight | 261.233 g/mol |
| SMILES | N(=O)(=O)C1=CC(=CC=C1)C=1OC(=CC1)COC(C)=O |