| SpectraBase Compound ID | IXHnW3Pg9fq |
|---|---|
| InChI | InChI=1S/C26H43NO/c1-17(2)9-8-10-18(3)19-12-13-20-23-21(14-16-25(19,20)4)26(5)15-7-6-11-22(26)27-24(23)28/h11,17-21,23H,6-10,12-16H2,1-5H3,(H,27,28)/t18-,19-,20+,21+,23+,25-,26-/m1/s1 |
| InChIKey | HALMBFFUHRAASK-AWBYLZBESA-N |
| Mol Weight | 385.6 g/mol |
| Molecular Formula | C26H43NO |
| Exact Mass | 385.334465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1f2YSGj3mKe |
|---|---|
| Name | 6-Azacholest-4-en-7-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.334465008 u |
| Formula | C26H43NO |
| InChI | InChI=1S/C26H43NO/c1-17(2)9-8-10-18(3)19-12-13-20-23-21(14-16-25(19,20)4)26(5)15-7-6-11-22(26)27-24(23)28/h11,17-21,23H,6-10,12-16H2,1-5H3,(H,27,28)/t18-,19-,20+,21+,23+,25-,26-/m1/s1 |
| InChIKey | HALMBFFUHRAASK-AWBYLZBESA-N |
| Molecular Weight | 385.636 g/mol |
| SMILES | C1([C@]2([C@]3([C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC3)[H])(C)CC[C@]2([H])[C@@]2(C(N1)=CCCC2)C)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947361 |