| SpectraBase Compound ID | Db2AZSHYc1O |
|---|---|
| InChI | InChI=1S/C13H13NO5/c15-11-3-1-2-4-12(11)19-13(16)9-5-7-10(8-6-9)14(17)18/h5-8,12H,1-4H2 |
| InChIKey | BONNSVDETVFMTJ-UHFFFAOYSA-N |
| Mol Weight | 263.25 g/mol |
| Molecular Formula | C13H13NO5 |
| Exact Mass | 263.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2USgio3zWQh |
|---|---|
| Name | (2-Oxidanylidenecyclohexyl) 4-nitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.079372518 u |
| Formula | C13H13NO5 |
| InChI | InChI=1S/C13H13NO5/c15-11-3-1-2-4-12(11)19-13(16)9-5-7-10(8-6-9)14(17)18/h5-8,12H,1-4H2 |
| InChIKey | BONNSVDETVFMTJ-UHFFFAOYSA-N |
| Molecular Weight | 263.249 g/mol |
| SMILES | C=1(N(=O)=O)C=CC(C(OC2C(=O)CCCC2)=O)=CC1 |