| SpectraBase Spectrum ID |
5o6hLFFbAGP |
| Name |
2-[4'-Methyl-2'-oxo-3'-(3""""-oxobutyl)cyclohexyl]propanaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.156894565 u |
| Formula |
C14H22O3 |
| InChI |
InChI=1S/C14H22O3/c1-9-4-6-13(10(2)8-15)14(17)12(9)7-5-11(3)16/h8-10,12-13H,4-7H2,1-3H3 |
| InChIKey |
RTBJZMMNKXQFDB-UHFFFAOYSA-N |
| Molecular Weight |
238.327 g/mol |
| SMILES |
C1(C(CCC(=O)C)C(C)CCC1C(C=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899798 |
![2-[4'-Methyl-2'-oxo-3'-(3"-oxobutyl)cyclohexyl]propanaldehyde](/api/spectrum/5o6hLFFbAGP/structure.png?h=300&w=458 "2-[4'-Methyl-2'-oxo-3'-(3\"-oxobutyl)cyclohexyl]propanaldehyde")
