| SpectraBase Spectrum ID |
JAj8DRvOjhJ |
| Name |
(3rs,4sr)-3-Isopropenyl-3-(2-hydroxyethyl)-4-methylcyclopentanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
182.130679818 u |
| Formula |
C11H18O2 |
| InChI |
InChI=1S/C11H18O2/c1-8(2)11(4-5-12)7-10(13)6-9(11)3/h9,12H,1,4-7H2,2-3H3 |
| InChIKey |
KLMPBHDVRDYEHY-UHFFFAOYSA-N |
| Molecular Weight |
182.263 g/mol |
| SMILES |
C1(C(CC(C1)=O)C)(C(=C)C)CCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916124 |
