| SpectraBase Compound ID | CkERcIGG3OT |
|---|---|
| InChI | InChI=1S/C23H41NO/c1-6-15-7-9-17-16-8-10-19-21(24(4)5)20(25)12-14-23(19,3)18(16)11-13-22(15,17)2/h15-21,25H,6-14H2,1-5H3/t15-,16-,17-,18-,19-,20+,21+,22+,23+/m0/s1 |
| InChIKey | WRMWXFHGGXBWQU-WCXIBLKMSA-N |
| Mol Weight | 347.6 g/mol |
| Molecular Formula | C23H41NO |
| Exact Mass | 347.318815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ix59f9wUujN |
|---|---|
| Name | 4.beta.-Dimethylamino-3.alpha.-hydroxypregnane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.318814943 u |
| Formula | C23H41NO |
| InChI | InChI=1S/C23H41NO/c1-6-15-7-9-17-16-8-10-19-21(24(4)5)20(25)12-14-23(19,3)18(16)11-13-22(15,17)2/h15-21,25H,6-14H2,1-5H3/t15-,16-,17-,18-,19-,20+,21+,22+,23+/m0/s1 |
| InChIKey | WRMWXFHGGXBWQU-WCXIBLKMSA-N |
| Molecular Weight | 347.587 g/mol |
| SMILES | [C@@]12([C@]([C@@](N(C)C)([C@@](CC2)(O)[H])[H])(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(CC)[H])[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90402 |