| SpectraBase Compound ID | B2LdC5x1J67 |
|---|---|
| InChI | InChI=1S/C9H9NO/c1-8(11)4-5-9-3-2-6-10-7-9/h2-7H,1H3/b5-4+ |
| InChIKey | USGRQYQNEMWBIP-SNAWJCMRSA-N |
| Mol Weight | 147.18 g/mol |
| Molecular Formula | C9H9NO |
| Exact Mass | 147.068414 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 | 33jQuPzoDho |
|---|---|
| Name | 3-Buten-2-one, 4-(3-pyridinyl)-; 3-buten-2-one, 4-(3-pyridyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.068413913 u |
| Formula | C9H9NO |
| InChI | InChI=1S/C9H9NO/c1-8(11)4-5-9-3-2-6-10-7-9/h2-7H,1H3/b5-4+ |
| InChIKey | USGRQYQNEMWBIP-SNAWJCMRSA-N |
| Molecular Weight | 147.177 g/mol |
| SMILES | C1=C(C=NC=C1)\C=C\C(=O)C |