| SpectraBase Compound ID | 8xEjo7zpVlH |
|---|---|
| InChI | InChI=1S/C9H11NO/c1-2-3-9(11)8-4-6-10-7-5-8/h4-7H,2-3H2,1H3 |
| InChIKey | FHHKAXDNIISDHM-UHFFFAOYSA-N |
| Mol Weight | 149.19 g/mol |
| Molecular Formula | C9H11NO |
| Exact Mass | 149.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6YrqGifaVvs |
|---|---|
| Name | 1-Butanone, 1-(4-pyridinyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 149.084063977 u |
| Formula | C9H11NO |
| InChI | InChI=1S/C9H11NO/c1-2-3-9(11)8-4-6-10-7-5-8/h4-7H,2-3H2,1H3 |
| InChIKey | FHHKAXDNIISDHM-UHFFFAOYSA-N |
| Molecular Weight | 149.193 g/mol |
| SMILES | C(C(=O)C1=CC=NC=C1)CC |