| SpectraBase Compound ID | CiSCS8fUER0 |
|---|---|
| InChI | InChI=1S/C15H19NO3/c1-4-8-16(3)12(5-2)15(17)11-6-7-13-14(9-11)19-10-18-13/h4,6-7,9,12H,1,5,8,10H2,2-3H3 |
| InChIKey | PZZWBEAWQGCPSC-UHFFFAOYSA-N |
| Mol Weight | 261.32 g/mol |
| Molecular Formula | C15H19NO3 |
| Exact Mass | 261.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DgvJq51DmL9 |
|---|---|
| Name | N-Allylbutylone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.136493473 u |
| Formula | C15H19NO3 |
| InChI | InChI=1S/C15H19NO3/c1-4-8-16(3)12(5-2)15(17)11-6-7-13-14(9-11)19-10-18-13/h4,6-7,9,12H,1,5,8,10H2,2-3H3 |
| InChIKey | PZZWBEAWQGCPSC-UHFFFAOYSA-N |
| Molecular Weight | 261.321 g/mol |
| SMILES | C=1(C(C(N(CC=C)C)CC)=O)C=C2C(=CC1)OCO2 |