| SpectraBase Compound ID | 6dFG6BRc1EY |
|---|---|
| InChI | InChI=1S/C16H13NO3/c1-12-2-4-13(5-3-12)6-11-16(18)14-7-9-15(10-8-14)17(19)20/h2-11H,1H3 |
| InChIKey | SBRXCTYIGBXNJY-UHFFFAOYSA-N |
| Mol Weight | 267.28 g/mol |
| Molecular Formula | C16H13NO3 |
| Exact Mass | 267.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BLhLqPgh9nZ |
|---|---|
| Name | 4-Methyl-4'-nitrochalcone |
| 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/c1-12-2-4-13(5-3-12)6-11-16(18)14-7-9-15(10-8-14)17(19)20/h2-11H,1H3 |
| InChIKey | SBRXCTYIGBXNJY-UHFFFAOYSA-N |
| Molecular Weight | 267.284 g/mol |
| SMILES | N(=O)(=O)C1=CC=C(C=C1)C(C=CC=1C=CC(=CC1)C)=O |