| SpectraBase Compound ID | 8AdvQTqFST8 |
|---|---|
| InChI | InChI=1S/C24H42N2O/c1-23-12-10-18(27)16-17(23)6-7-19-20-8-9-22(25-14-5-15-26(3)4)24(20,2)13-11-21(19)23/h6,18-22,25,27H,5,7-16H2,1-4H3/t18-,19-,20-,21-,22?,23-,24-/m0/s1 |
| InChIKey | PDPJKGGZQJOTDY-BJHVUINJSA-N |
| Mol Weight | 374.6 g/mol |
| Molecular Formula | C24H42N2O |
| Exact Mass | 374.329714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G44dI4WoED6 |
|---|---|
| Name | 17-(3-Dimethylaminopropyl)-amino-androst-5-en-3.beta.-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.329713979 u |
| Formula | C24H42N2O |
| InChI | InChI=1S/C24H42N2O/c1-23-12-10-18(27)16-17(23)6-7-19-20-8-9-22(25-14-5-15-26(3)4)24(20,2)13-11-21(19)23/h6,18-22,25,27H,5,7-16H2,1-4H3/t18-,19-,20-,21-,22?,23-,24-/m0/s1 |
| InChIKey | PDPJKGGZQJOTDY-BJHVUINJSA-N |
| Molecular Weight | 374.613 g/mol |
| SMILES | [C@]1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CCC2NCCCN(C)C)[H])C)[H])[H])C)(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.846546 |