| SpectraBase Compound ID | IElmBLdMb1R |
|---|---|
| InChI | InChI=1S/C14H28O/c1-11(2)9-10-14(15,12(3,4)5)13(6,7)8/h9,15H,10H2,1-8H3 |
| InChIKey | NSOHTCWGNQFXCW-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 | xaIebtCIpv |
|---|---|
| Name | 3-Tert-butyl-2,2,6-trimethyl-5-hepten-3-ol |
| 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/c1-11(2)9-10-14(15,12(3,4)5)13(6,7)8/h9,15H,10H2,1-8H3 |
| InChIKey | NSOHTCWGNQFXCW-UHFFFAOYSA-N |
| Molecular Weight | 212.377 g/mol |
| SMILES | C(CC=C(C)C)(C(C)(C)C)(C(C)(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96488 |