| SpectraBase Compound ID | EJKl9GwFQnv |
|---|---|
| InChI | InChI=1S/C16H31NO/c1-4-5-7-12-16(18)17(3)14(2)13-15-10-8-6-9-11-15/h14-15H,4-13H2,1-3H3 |
| InChIKey | PEJVBWKHIFQMJW-UHFFFAOYSA-N |
| Mol Weight | 253.43 g/mol |
| Molecular Formula | C16H31NO |
| Exact Mass | 253.240565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3t3LUwIbPZe |
|---|---|
| Name | Propylhexedrine hex |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.240564621 u |
| Formula | C16H31NO |
| InChI | InChI=1S/C16H31NO/c1-4-5-7-12-16(18)17(3)14(2)13-15-10-8-6-9-11-15/h14-15H,4-13H2,1-3H3 |
| InChIKey | PEJVBWKHIFQMJW-UHFFFAOYSA-N |
| Molecular Weight | 253.430 g/mol |
| SMILES | C(N(C(CCCCC)=O)C)(CC1CCCCC1)C |