| SpectraBase Compound ID | 2MOrWcVLzod |
|---|---|
| InChI | InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12-13,19-21,23,25H,6-11,14-18H2,1-5H3/t20-,21-,23-,25+,26+,27-/m1/s1 |
| InChIKey | XWDCVZSMGJFSEI-IFNNUIFPSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C27H44 |
| Exact Mass | 368.344301 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FI00zXwlGIM |
|---|---|
| Name | 5-.alpha.-Cholesta-6,8(14)-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.344301417 u |
| Formula | C27H44 |
| InChI | InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12-13,19-21,23,25H,6-11,14-18H2,1-5H3/t20-,21-,23-,25+,26+,27-/m1/s1 |
| InChIKey | XWDCVZSMGJFSEI-IFNNUIFPSA-N |
| Molecular Weight | 368.649 g/mol |
| SMILES | C12=C3[C@]([C@@]4(C)CCCC[C@@]4(C=C3)[H])([H])CC[C@@]2([C@@]([C@@](CCCC(C)C)(C)[H])(CC1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941227 |