| SpectraBase Compound ID | BhuT2mpZR49 |
|---|---|
| InChI | InChI=1S/C13H19NO/c1-3-6-13(15)10-5-9-12-8-4-7-11(2)14-12/h4,7-8H,3,5-6,9-10H2,1-2H3 |
| InChIKey | BEEKDIVELBUVAL-UHFFFAOYSA-N |
| Mol Weight | 205.3 g/mol |
| Molecular Formula | C13H19NO |
| Exact Mass | 205.146664 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LRq7dOgMJHt |
|---|---|
| Name | 1-(6-Methylpyridin-2-yl)heptan-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.146664235 u |
| Formula | C13H19NO |
| InChI | InChI=1S/C13H19NO/c1-3-6-13(15)10-5-9-12-8-4-7-11(2)14-12/h4,7-8H,3,5-6,9-10H2,1-2H3 |
| InChIKey | BEEKDIVELBUVAL-UHFFFAOYSA-N |
| Molecular Weight | 205.301 g/mol |
| SMILES | C1=C(N=C(C=C1)CCCC(CCC)=O)C |