| SpectraBase Spectrum ID |
AR9mA5YTOsG |
| Name |
3-Isopropyl-6,10-dimethylundecane-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.245315649 u |
| Formula |
C16H32O |
| InChI |
InChI=1S/C16H32O/c1-12(2)8-7-9-14(5)10-11-16(13(3)4)15(6)17/h12-14,16H,7-11H2,1-6H3 |
| InChIKey |
XCMBADWJWNQIAY-UHFFFAOYSA-N |
| Molecular Weight |
240.431 g/mol |
| SMILES |
CC(C(CCC(CCCC(C)C)C)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955734 |
