| SpectraBase Compound ID | CMDWLAHPk0d |
|---|---|
| InChI | InChI=1S/C14H15NO4/c16-12-8-4-7-11(9-12)13(15(18)19)14(17)10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2 |
| InChIKey | LLDVPVRSMGHVEI-UHFFFAOYSA-N |
| Mol Weight | 261.28 g/mol |
| Molecular Formula | C14H15NO4 |
| Exact Mass | 261.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7SEHOP6cinQ |
|---|---|
| Name | 3-(1-Nitro-2-oxo-2-phenyethyl)cyclohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.100107963 u |
| Formula | C14H15NO4 |
| InChI | InChI=1S/C14H15NO4/c16-12-8-4-7-11(9-12)13(15(18)19)14(17)10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2 |
| InChIKey | LLDVPVRSMGHVEI-UHFFFAOYSA-N |
| Molecular Weight | 261.277 g/mol |
| SMILES | C1(CC(CCC1)C(C(C=1C=CC=CC1)=O)N(=O)=O)=O |