| SpectraBase Compound ID | HrMKZyHiKcI |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-12(2,3)11(14)7-6-10-5-4-8-13-9-10/h4-5,8-9H,6-7H2,1-3H3 |
| InChIKey | FYUWCKNIGYMKSX-UHFFFAOYSA-N |
| Mol Weight | 191.27 g/mol |
| Molecular Formula | C12H17NO |
| Exact Mass | 191.131014 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 | M0BPcgyazc |
|---|---|
| Name | 3-Pentanone, 4,4-dimethyl-1-(3-pyridinyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.131014170 u |
| Formula | C12H17NO |
| InChI | InChI=1S/C12H17NO/c1-12(2,3)11(14)7-6-10-5-4-8-13-9-10/h4-5,8-9H,6-7H2,1-3H3 |
| InChIKey | FYUWCKNIGYMKSX-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | C1(=CC=CN=C1)CCC(C(C)(C)C)=O |