| SpectraBase Compound ID | IhLFTJURUSO |
|---|---|
| InChI | InChI=1S/C21H37N/c1-4-15-7-8-17-16-9-14-21(22)12-6-5-11-20(21,3)18(16)10-13-19(15,17)2/h15-18H,4-14,22H2,1-3H3/t15-,16-,17-,18-,19+,20+,21-/m0/s1 |
| InChIKey | GRENECIWDJJCPJ-LKUPXQQGSA-N |
| Mol Weight | 303.5 g/mol |
| Molecular Formula | C21H37N |
| Exact Mass | 303.2926 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LdFvnE3LOfB |
|---|---|
| Name | 5-Amino-5-alpha-pregnan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.292600195 u |
| Formula | C21H37N |
| InChI | InChI=1S/C21H37N/c1-4-15-7-8-17-16-9-14-21(22)12-6-5-11-20(21,3)18(16)10-13-19(15,17)2/h15-18H,4-14,22H2,1-3H3/t15-,16-,17-,18-,19+,20+,21-/m0/s1 |
| InChIKey | GRENECIWDJJCPJ-LKUPXQQGSA-N |
| SMILES | [C@]12(N)[C@]([C@]3(CC[C@]4([C@]([C@@]3(CC1)[H])(CC[C@@]4(CC)[H])[H])C)[H])(C)CCCC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.811992 |