| SpectraBase Compound ID | 6M4Aw0M57Bz |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-25(15-9-17-27(3)19-11-21-29(5)23-31)13-7-8-14-26(2)16-10-18-28(4)20-12-22-30(6)24-32/h13-14,17-18,21-22,31-32H,7-12,15-16,19-20,23-24H2,1-6H3/b25-13+,26-14+,27-17-,28-18+,29-21+,30-22+ |
| InChIKey | RVCMXVWYTHDZLU-PTSJZBNESA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IvFXjwjUDm |
|---|---|
| Name | Squalene-1,24-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.381080848 u |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-25(15-9-17-27(3)19-11-21-29(5)23-31)13-7-8-14-26(2)16-10-18-28(4)20-12-22-30(6)24-32/h13-14,17-18,21-22,31-32H,7-12,15-16,19-20,23-24H2,1-6H3/b25-13+,26-14+,27-17-,28-18+,29-21+,30-22+ |
| InChIKey | RVCMXVWYTHDZLU-PTSJZBNESA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | C(\C=C\(CO)C)C\C(=C/CC\C(=C\CC\C=C\(CC\C=C\(CC\C=C\(CO)C)C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.882125 |