| SpectraBase Compound ID | YJ34iEo7qt |
|---|---|
| InChI | InChI=1S/C13H13NO4/c15-13(18-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(16)17/h4,6-9H,1-3,5H2 |
| InChIKey | KYHLSQDARLCMNY-UHFFFAOYSA-N |
| Mol Weight | 247.25 g/mol |
| Molecular Formula | C13H13NO4 |
| Exact Mass | 247.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8NOlJfPBbeB |
|---|---|
| Name | 1-Cyclohexen-1-ol, 4-nitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.084457899 u |
| Formula | C13H13NO4 |
| InChI | InChI=1S/C13H13NO4/c15-13(18-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(16)17/h4,6-9H,1-3,5H2 |
| InChIKey | KYHLSQDARLCMNY-UHFFFAOYSA-N |
| Molecular Weight | 247.250 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(C(OC2=CCCCC2)=O)C=C1 |