| SpectraBase Compound ID | 7EsTfqO0Cg0 |
|---|---|
| InChI | InChI=1S/C16H23NO3/c1-4-5-6-9-17(3)12(2)16(18)13-7-8-14-15(10-13)20-11-19-14/h7-8,10,12H,4-6,9,11H2,1-3H3 |
| InChIKey | ARLPJRXJYCZOLD-UHFFFAOYSA-N |
| Mol Weight | 277.36 g/mol |
| Molecular Formula | C16H23NO3 |
| Exact Mass | 277.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EPBQoXiLwcU |
|---|---|
| Name | N-Pentylmethylone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.167793602 u |
| Formula | C16H23NO3 |
| InChI | InChI=1S/C16H23NO3/c1-4-5-6-9-17(3)12(2)16(18)13-7-8-14-15(10-13)20-11-19-14/h7-8,10,12H,4-6,9,11H2,1-3H3 |
| InChIKey | ARLPJRXJYCZOLD-UHFFFAOYSA-N |
| SMILES | C=1(C(C(N(CCCCC)C)C)=O)C=C2C(=CC1)OCO2 |