| SpectraBase Compound ID | 46lhVWEefvr |
|---|---|
| InChI | InChI=1S/C13H24O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11-14H,1,7,9H2,2-5H3/b8-6+ |
| InChIKey | KXCPAUWIRBMTET-SOFGYWHQSA-N |
| Mol Weight | 196.33 g/mol |
| Molecular Formula | C13H24O |
| Exact Mass | 196.182715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ek3gvIsiLIe |
|---|---|
| Name | Solanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.182715392 u |
| Formula | C13H24O |
| InChI | InChI=1S/C13H24O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11-14H,1,7,9H2,2-5H3/b8-6+ |
| InChIKey | KXCPAUWIRBMTET-SOFGYWHQSA-N |
| Molecular Weight | 196.334 g/mol |
| SMILES | C(\C=C\C(CCC(O)C)C(C)C)(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94554 |