| SpectraBase Compound ID | UfySNy3FZK |
|---|---|
| InChI | InChI=1S/C27H49N/c1-18(2)8-6-9-19(3)21-13-14-22-20-11-12-24-25(28)10-7-16-26(24,4)23(20)15-17-27(21,22)5/h18-25H,6-17,28H2,1-5H3/t19-,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1 |
| InChIKey | BAYOSIMAFRMGAQ-NBGJRJMZSA-N |
| Mol Weight | 387.7 g/mol |
| Molecular Formula | C27H49N |
| Exact Mass | 387.386501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F05UQURKQoy |
|---|---|
| Name | 4.alpha.-Amino-5.beta.-cholestane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 387.386500582 u |
| Formula | C27H49N |
| InChI | InChI=1S/C27H49N/c1-18(2)8-6-9-19(3)21-13-14-22-20-11-12-24-25(28)10-7-16-26(24,4)23(20)15-17-27(21,22)5/h18-25H,6-17,28H2,1-5H3/t19-,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1 |
| InChIKey | BAYOSIMAFRMGAQ-NBGJRJMZSA-N |
| Molecular Weight | 387.696 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CCC[C@]4(N)[H])C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919555 |