| SpectraBase Spectrum ID |
3TfiJkVWt80 |
| Name |
Cyclohexanol, 1-(3-hydroxy-1-butynyl)-2,2,6-trimethyl-3-(3-methyl-2-butenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.224580204 u |
| Formula |
C18H30O2 |
| InChI |
InChI=1S/C18H30O2/c1-13(2)7-9-16-10-8-14(3)18(20,17(16,5)6)12-11-15(4)19/h7,14-16,19-20H,8-10H2,1-6H3 |
| InChIKey |
IFBUFUHRRLZZCW-UHFFFAOYSA-N |
| SMILES |
C1(C#CC(O)C)(C(C(CC=C(C)C)CCC1C)(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914208 |
