| SpectraBase Compound ID | AiLffO4Ns6M |
|---|---|
| InChI | InChI=1S/C6H8NO/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3 |
| InChIKey | PANRHABXWSGKNS-UHFFFAOYSA-N |
| Mol Weight | 109.13 g/mol |
| Molecular Formula | C6H7NO |
| Exact Mass | 109.052764 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 | CEMmRb9f5rD |
|---|---|
| Name | 3-Picoline, 1-oxide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 109.052763848 u |
| Formula | C6H7NO |
| InChI | InChI=1S/C6H8NO/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3 |
| InChIKey | PANRHABXWSGKNS-UHFFFAOYSA-N |
| Molecular Weight | 109.128 g/mol |
| SMILES | CC1=CC=C[N+](=C1)[O-] |