| SpectraBase Compound ID | 25GWvSnPfMb |
|---|---|
| InChI | InChI=1S/C27H47NO/c1-18(2)8-6-9-19(3)22-13-14-23-21-12-11-20-10-7-17-28-25(29)27(20,5)24(21)15-16-26(22,23)4/h18-24H,6-17H2,1-5H3,(H,28,29)/t19-,20+,21+,22-,23+,24+,26-,27+/m1/s1 |
| InChIKey | ZXMLRHDAWNWLOT-XLDSYAJBSA-N |
| Mol Weight | 401.7 g/mol |
| Molecular Formula | C27H47NO |
| Exact Mass | 401.365765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GxekTAa2I6R |
|---|---|
| Name | 2-aza-A-Homocholestan-1-one, (5.beta.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.365765136 u |
| Formula | C27H47NO |
| InChI | InChI=1S/C27H47NO/c1-18(2)8-6-9-19(3)22-13-14-23-21-12-11-20-10-7-17-28-25(29)27(20,5)24(21)15-16-26(22,23)4/h18-24H,6-17H2,1-5H3,(H,28,29)/t19-,20+,21+,22-,23+,24+,26-,27+/m1/s1 |
| InChIKey | ZXMLRHDAWNWLOT-XLDSYAJBSA-N |
| Molecular Weight | 401.679 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(C(NCCC4)=O)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936865 |