| SpectraBase Compound ID | JtHSkNDiNCx |
|---|---|
| InChI | InChI=1S/C30H50O/c1-25(2)15-9-10-23-29(25,7)19-18-28(6)21-11-12-22-26(3,4)24(31)14-16-27(22,5)20(21)13-17-30(23,28)8/h11,20,22-24,31H,9-10,12-19H2,1-8H3/t20-,22-,23+,24-,27+,28+,29-,30-/m0/s1 |
| InChIKey | HGKGZBAXPIRVLR-LNQGNKRQSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C30H50O |
| Exact Mass | 426.386166 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CC1kYuBJMLO |
|---|---|
| Name | Swertenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.386166229 u |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-25(2)15-9-10-23-29(25,7)19-18-28(6)21-11-12-22-26(3,4)24(31)14-16-27(22,5)20(21)13-17-30(23,28)8/h11,20,22-24,31H,9-10,12-19H2,1-8H3/t20-,22-,23+,24-,27+,28+,29-,30-/m0/s1 |
| InChIKey | HGKGZBAXPIRVLR-LNQGNKRQSA-N |
| Molecular Weight | 426.729 g/mol |
| SMILES | [C@@]1(O)(CC[C@]2([C@](C1(C)C)(CC=C1[C@@]2(CC[C@@]2([C@@]1(CC[C@]1([C@]2(CCCC1(C)C)[H])C)C)C)[H])[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.838654 |