| SpectraBase Spectrum ID |
46jC2qY1oG6 |
| Name |
5-(3,3-Dimethyl-1-butynyl)-2,2,8,8-tetramethyl-3,6-nonadiyn-5-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.214015521 u |
| Formula |
C19H28O |
| InChI |
InChI=1S/C19H28O/c1-16(2,3)10-13-19(20,14-11-17(4,5)6)15-12-18(7,8)9/h20H,1-9H3 |
| InChIKey |
LUAKXJPRIUIGSE-UHFFFAOYSA-N |
| Molecular Weight |
272.432 g/mol |
| SMILES |
OC(C#CC(C)(C)C)(C#CC(C)(C)C)C#CC(C)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.940899 |
