| SpectraBase Compound ID | 770W6FAiNjZ |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-24(2)13-10-16-27(5)18-11-17-25(3)14-8-9-15-26(4)19-12-20-28(23-31)21-22-29-30(6,7)32-29/h13-15,18,20,29,31H,8-12,16-17,19,21-23H2,1-7H3/b25-14+,26-15+,27-18+,28-20- |
| InChIKey | BMPGKSXIPYLKOR-GBXZTRJZSA-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 | 3Pxv6FHPXNW |
|---|---|
| Name | 26-Hydroxy-2,3-oxidosqualene |
| 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/c1-24(2)13-10-16-27(5)18-11-17-25(3)14-8-9-15-26(4)19-12-20-28(23-31)21-22-29-30(6,7)32-29/h13-15,18,20,29,31H,8-12,16-17,19,21-23H2,1-7H3/b25-14+,26-15+,27-18+,28-20- |
| InChIKey | BMPGKSXIPYLKOR-GBXZTRJZSA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | C1(OC1CC\C(=C\CC\C(=C\CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)CO)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929795 |