SpectraBase Spectrum ID |
2UzNH8KQ23I |
Name |
(1E)-2-(3-Hydroxy-1-propenyl)-1-(2-methylpropyl)cyclopentan-1-ol |
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)9-12(14)7-3-5-11(12)6-4-8-13/h4,6,10-11,13-14H,3,5,7-9H2,1-2H3/b6-4+ |
InChIKey |
NODSLRURLOPQEB-GQCTYLIASA-N |
Molecular Weight |
198.306 g/mol |
SMILES |
C1(CC(C)C)(C(\C=C\CO)CCC1)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829404 |