| SpectraBase Compound ID | 1u4pejMshJB |
|---|---|
| InChI | InChI=1S/C12H23NO/c1-6-13(7-2)10-8-9-12(5,14)11(3)4/h11,14H,6-7,10H2,1-5H3 |
| InChIKey | GMUIZGQQPXPFGY-UHFFFAOYSA-N |
| Mol Weight | 197.32 g/mol |
| Molecular Formula | C12H23NO |
| Exact Mass | 197.177964 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LWBdlmxogpE |
|---|---|
| Name | 6-Diethylamino-2,3-dimethyl-hex-4-yn-3-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.177964364 u |
| Formula | C12H23NO |
| InChI | InChI=1S/C12H23NO/c1-6-13(7-2)10-8-9-12(5,14)11(3)4/h11,14H,6-7,10H2,1-5H3 |
| InChIKey | GMUIZGQQPXPFGY-UHFFFAOYSA-N |
| Molecular Weight | 197.322 g/mol |
| SMILES | C(C#CCN(CC)CC)(C(C)C)(C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967547 |