| SpectraBase Spectrum ID |
9go2qa4w70P |
| Name |
Cyclohexanepropanoic acid, 3-methyl-6-(1-methylethyl)-2-oxo-, methyl ester, (1.alpha.,3.alpha.,6.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.172544630 u |
| Formula |
C14H24O3 |
| InChI |
InChI=1S/C14H24O3/c1-9(2)11-6-5-10(3)14(16)12(11)7-8-13(15)17-4/h9-12H,5-8H2,1-4H3 |
| InChIKey |
RMHPIWAWAZMQJJ-UHFFFAOYSA-N |
| Molecular Weight |
240.343 g/mol |
| SMILES |
C1(C(=O)C(C)CCC1C(C)C)CCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.988315 |
