| SpectraBase Compound ID | 7PUo4mUUcGm |
|---|---|
| InChI | InChI=1S/C16H13NO3/c1-12-5-8-14(9-6-12)16(18)10-7-13-3-2-4-15(11-13)17(19)20/h2-11H,1H3 |
| InChIKey | SGCDUQWVNMXCOR-UHFFFAOYSA-N |
| Mol Weight | 267.28 g/mol |
| Molecular Formula | C16H13NO3 |
| Exact Mass | 267.089543 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 | 6IbDMWjTJGv |
|---|---|
| Name | 4'-Methyl-3-nitrochalone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.089543280 u |
| Formula | C16H13NO3 |
| InChI | InChI=1S/C16H13NO3/c1-12-5-8-14(9-6-12)16(18)10-7-13-3-2-4-15(11-13)17(19)20/h2-11H,1H3 |
| InChIKey | SGCDUQWVNMXCOR-UHFFFAOYSA-N |
| Molecular Weight | 267.284 g/mol |
| SMILES | N(=O)(=O)C=1C=C(C=CC1)C=CC(C=1C=CC(=CC1)C)=O |