| SpectraBase Compound ID | 40Tub0si1oM |
|---|---|
| InChI | InChI=1S/C16H23NO2/c1-4-6-12-15(18)17(3)14(5-2)16(19)13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3 |
| InChIKey | UQXJCGIRJGWMKO-UHFFFAOYSA-N |
| Mol Weight | 261.36 g/mol |
| Molecular Formula | C16H23NO2 |
| Exact Mass | 261.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JvyM6aUJRaA |
|---|---|
| Name | Buphedrone pent |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.172878983 u |
| Formula | C16H23NO2 |
| InChI | InChI=1S/C16H23NO2/c1-4-6-12-15(18)17(3)14(5-2)16(19)13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3 |
| InChIKey | UQXJCGIRJGWMKO-UHFFFAOYSA-N |
| Molecular Weight | 261.365 g/mol |
| SMILES | C(C(C1=CC=CC=C1)=O)(N(C(CCCC)=O)C)CC |