SpectraBase Spectrum ID |
2cbGghvcWdl |
Name |
1-Cyclohexene-1-butanol, .gamma.-(1,1-dimethylethyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
210.198365456 u |
Formula |
C14H26O |
InChI |
InChI=1S/C14H26O/c1-14(2,3)13(9-10-15)11-12-7-5-4-6-8-12/h7,13,15H,4-6,8-11H2,1-3H3 |
InChIKey |
LLVUAPZWSXEYJO-UHFFFAOYSA-N |
Molecular Weight |
210.361 g/mol |
SMILES |
C1(CC(C(C)(C)C)CCO)=CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849945 |