| SpectraBase Compound ID | JWVScmVkMos |
|---|---|
| InChI | InChI=1S/C17H25NO3/c1-4-6-7-10-18(3)14(5-2)17(19)13-8-9-15-16(11-13)21-12-20-15/h8-9,11,14H,4-7,10,12H2,1-3H3 |
| InChIKey | HDRPWWMSKWLIKO-UHFFFAOYSA-N |
| Mol Weight | 291.39 g/mol |
| Molecular Formula | C17H25NO3 |
| Exact Mass | 291.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FK4vcuhAAXV |
|---|---|
| Name | N-Pentylbutylone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.183443666 u |
| Formula | C17H25NO3 |
| InChI | InChI=1S/C17H25NO3/c1-4-6-7-10-18(3)14(5-2)17(19)13-8-9-15-16(11-13)21-12-20-15/h8-9,11,14H,4-7,10,12H2,1-3H3 |
| InChIKey | HDRPWWMSKWLIKO-UHFFFAOYSA-N |
| SMILES | C=1(C(C(N(CCCCC)C)CC)=O)C=C2C(=CC1)OCO2 |