| SpectraBase Compound ID | EB9kdJkz8SC |
|---|---|
| InChI | InChI=1S/C27H43NO/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(29)28-25/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3,(H,28,29) |
| InChIKey | ZSIVCKRYTZPDGV-UHFFFAOYSA-N |
| Mol Weight | 397.6 g/mol |
| Molecular Formula | C27H43NO |
| Exact Mass | 397.334465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GkOS1LXq17i |
|---|---|
| Name | 7A-aza-B-Homocholesta-3,5-dien-7-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.334465008 u |
| Formula | C27H43NO |
| InChI | InChI=1S/C27H43NO/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(29)28-25/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3,(H,28,29) |
| InChIKey | ZSIVCKRYTZPDGV-UHFFFAOYSA-N |
| Molecular Weight | 397.647 g/mol |
| SMILES | C12(C)C(C3C(CC2)C2(C)C(C=CCC2)=CC(N3)=O)CCC1C(CCCC(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909524 |