| SpectraBase Spectrum ID |
3AfxcrBzYzp |
| Name |
2,2-Dimethylpropanoic acid 4-(3-oxocyclohexyl)butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.188194694 u |
| Formula |
C15H26O3 |
| InChI |
InChI=1S/C15H26O3/c1-15(2,3)14(17)18-10-5-4-7-12-8-6-9-13(16)11-12/h12H,4-11H2,1-3H3 |
| InChIKey |
INOXFBFZOXBYMQ-UHFFFAOYSA-N |
| Molecular Weight |
254.370 g/mol |
| SMILES |
C(C(C)(C)C)(=O)OCCCCC1CC(=O)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955314 |
