| SpectraBase Compound ID | LBsIRwdcjd7 |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-10(2,12(5,6)14)8-7-9-11(3,4)13/h13-14H,9H2,1-6H3 |
| InChIKey | LBIZBTCFXSYFKI-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F6lq4MEtQh0 |
|---|---|
| Name | 2,3,3,7-Tetramethyl-4-octyne-2,7-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-10(2,12(5,6)14)8-7-9-11(3,4)13/h13-14H,9H2,1-6H3 |
| InChIKey | LBIZBTCFXSYFKI-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | CC(C(C#CCC(C)(O)C)(C)C)(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987077 |