| SpectraBase Compound ID | KLPNj9icKMy |
|---|---|
| InChI | InChI=1S/C14H28O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h10-13,15H,6-9H2,1-5H3 |
| InChIKey | HMENPFAAAQWASO-UHFFFAOYSA-N |
| Mol Weight | 212.38 g/mol |
| Molecular Formula | C14H28O |
| Exact Mass | 212.214016 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4HJTZ6IkrqV |
|---|---|
| Name | Methyl tetrahydroionol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.214015521 u |
| Formula | C14H28O |
| InChI | InChI=1S/C14H28O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h10-13,15H,6-9H2,1-5H3 |
| InChIKey | HMENPFAAAQWASO-UHFFFAOYSA-N |
| Molecular Weight | 212.377 g/mol |
| SMILES | C1CCC(C(C1(C)C)CC(C(C)O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908932 |