| SpectraBase Compound ID | BigfOUVdoMf |
|---|---|
| InChI | InChI=1S/C18H27NO3/c1-4-6-7-8-11-19(3)15(5-2)18(20)14-9-10-16-17(12-14)22-13-21-16/h9-10,12,15H,4-8,11,13H2,1-3H3 |
| InChIKey | NPDDFQUHWMAFOI-UHFFFAOYSA-N |
| Mol Weight | 305.42 g/mol |
| Molecular Formula | C18H27NO3 |
| Exact Mass | 305.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JH60RV0S39K |
|---|---|
| Name | N-Hexylbutylone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.199093730 u |
| Formula | C18H27NO3 |
| InChI | InChI=1S/C18H27NO3/c1-4-6-7-8-11-19(3)15(5-2)18(20)14-9-10-16-17(12-14)22-13-21-16/h9-10,12,15H,4-8,11,13H2,1-3H3 |
| InChIKey | NPDDFQUHWMAFOI-UHFFFAOYSA-N |
| Molecular Weight | 305.418 g/mol |
| SMILES | C=1(C(C(N(CCCCCC)C)CC)=O)C=C2C(=CC1)OCO2 |