| SpectraBase Compound ID | FVup4uJkzzd |
|---|---|
| InChI | InChI=1S/C14H19NO3/c1-4-11(15(3)5-2)14(16)10-6-7-12-13(8-10)18-9-17-12/h6-8,11H,4-5,9H2,1-3H3 |
| InChIKey | PQCZWJBLWJUUKV-UHFFFAOYSA-N |
| Mol Weight | 249.31 g/mol |
| Molecular Formula | C14H19NO3 |
| Exact Mass | 249.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BBmOiG6J9KH |
|---|---|
| Name | Butylone et |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.136493473 u |
| Formula | C14H19NO3 |
| InChI | InChI=1S/C14H19NO3/c1-4-11(15(3)5-2)14(16)10-6-7-12-13(8-10)18-9-17-12/h6-8,11H,4-5,9H2,1-3H3 |
| InChIKey | PQCZWJBLWJUUKV-UHFFFAOYSA-N |
| Molecular Weight | 249.310 g/mol |
| SMILES | C=1(C(C(N(CC)C)CC)=O)C=C2C(=CC1)OCO2 |