| SpectraBase Compound ID | FhO6znELROU |
|---|---|
| InChI | InChI=1S/C24H40/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h5,17-22H,1,6-16H2,2-4H3/t17-,18+,19+,20-,21+,22+,23+,24-/m1/s1 |
| InChIKey | UKVFUEBRZQZUSZ-OBUPQJQESA-N |
| Mol Weight | 328.6 g/mol |
| Molecular Formula | C24H40 |
| Exact Mass | 328.313001 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 674TR3tSkEy |
|---|---|
| Name | Chol-23-ene, (5.beta.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.313001288 u |
| Formula | C24H40 |
| InChI | InChI=1S/C24H40/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h5,17-22H,1,6-16H2,2-4H3/t17-,18+,19+,20-,21+,22+,23+,24-/m1/s1 |
| InChIKey | UKVFUEBRZQZUSZ-OBUPQJQESA-N |
| Molecular Weight | 328.584 g/mol |
| SMILES | C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)[C@](CC3)(CCCC2)[H])[H])[H])(CC[C@@]1([C@@](CC=C)(C)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.822377 |