| SpectraBase Compound ID | A9pN7HiQmcw |
|---|---|
| InChI | InChI=1S/C13H21NO2/c1-11-6-5-7-12(14-11)10-13(16)8-3-2-4-9-15/h5-7,13,15-16H,2-4,8-10H2,1H3 |
| InChIKey | VUIYEDRRBDGBTB-UHFFFAOYSA-N |
| Mol Weight | 223.32 g/mol |
| Molecular Formula | C13H21NO2 |
| Exact Mass | 223.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FqGxUfUfG9d |
|---|---|
| Name | 7-(6-Methyl-pyridin-2-yl)-heptane-1,6-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.157228918 u |
| Formula | C13H21NO2 |
| InChI | InChI=1S/C13H21NO2/c1-11-6-5-7-12(14-11)10-13(16)8-3-2-4-9-15/h5-7,13,15-16H,2-4,8-10H2,1H3 |
| InChIKey | VUIYEDRRBDGBTB-UHFFFAOYSA-N |
| Molecular Weight | 223.316 g/mol |
| SMILES | CC1=NC(CC(CCCCCO)O)=CC=C1 |