| SpectraBase Compound ID | Bl5BipNZtDx |
|---|---|
| InChI | InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)22-9-10-23-26(3,4)24(31)13-15-28(23,6)21(22)12-16-30(29,8)25(27)20(19)2/h9,19-21,23-25,31H,10-18H2,1-8H3/t19-,20+,21+,23+,24+,25-,27-,28-,29-,30+/m1/s1 |
| InChIKey | TZVDWGXUGGUMCE-JVHXOXOBSA-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 | A5nuiUpZM3K |
|---|---|
| Name | C-Friedours-7-en-3-beta-ol |
| 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/c1-19-11-14-27(5)17-18-29(7)22-9-10-23-26(3,4)24(31)13-15-28(23,6)21(22)12-16-30(29,8)25(27)20(19)2/h9,19-21,23-25,31H,10-18H2,1-8H3/t19-,20+,21+,23+,24+,25-,27-,28-,29-,30+/m1/s1 |
| InChIKey | TZVDWGXUGGUMCE-JVHXOXOBSA-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)[C@]1(C)CC[C@]1(C)[C@]2([C@@](C)([C@](C)(CC1)[H])[H])[H])[H])[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924135 |