| SpectraBase Compound ID | 8zoDNmdeUx5 |
|---|---|
| InChI | InChI=1S/C21H37N/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h14-19H,4-13,22H2,1-3H3 |
| InChIKey | ZBAXYIFYQPFIGQ-UHFFFAOYSA-N |
| Mol Weight | 303.5 g/mol |
| Molecular Formula | C21H37N |
| Exact Mass | 303.2926 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E4eAU8pnPW5 |
|---|---|
| Name | Pregnan-3-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.292600195 u |
| Formula | C21H37N |
| InChI | InChI=1S/C21H37N/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h14-19H,4-13,22H2,1-3H3 |
| InChIKey | ZBAXYIFYQPFIGQ-UHFFFAOYSA-N |
| SMILES | CC12C3C(C4C(CC3)(C)C(CC)CC4)CCC2CC(CC1)N |