| SpectraBase Spectrum ID |
E9v01jwQF0Y |
| Name |
Cyclohexanebutanoic acid, 2-methyl-3-oxo-, trans-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
198.125594437 u |
| Formula |
C11H18O3 |
| InChI |
InChI=1S/C11H18O3/c1-8-9(4-2-6-10(8)12)5-3-7-11(13)14/h8-9H,2-7H2,1H3,(H,13,14)/t8-,9-/m0/s1 |
| InChIKey |
IMUVKJHXLTYKAQ-IUCAKERBSA-N |
| Molecular Weight |
198.262 g/mol |
| SMILES |
C1([C@]([C@](CCCC(=O)O)(CCC1)[H])(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82655 |
