| SpectraBase Compound ID | 73jkuXUcdjD |
|---|---|
| InChI | InChI=1S/C12H15NO/c1-2-8-13-9-7-10-5-3-4-6-11(10)12(13)14/h3-6H,2,7-9H2,1H3 |
| InChIKey | JOJFZCBPAOJAMM-UHFFFAOYSA-N |
| Mol Weight | 189.26 g/mol |
| Molecular Formula | C12H15NO |
| Exact Mass | 189.115364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4cuJkudKMHU |
|---|---|
| Name | 2-Propyl-3,4-dihydroisocarbostyril |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.115364106 u |
| Formula | C12H15NO |
| InChI | InChI=1S/C12H15NO/c1-2-8-13-9-7-10-5-3-4-6-11(10)12(13)14/h3-6H,2,7-9H2,1H3 |
| InChIKey | JOJFZCBPAOJAMM-UHFFFAOYSA-N |
| Molecular Weight | 189.258 g/mol |
| SMILES | C1(N(CCC2=C1C=CC=C2)CCC)=O |