| SpectraBase Spectrum ID |
IOOpZVB6jkD |
| Name |
4-Heptanone, 2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-, [S-(R*,S*)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.198365456 u |
| Formula |
C15H26O |
| InChI |
InChI=1S/C15H26O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,11,13-14H,6-10H2,1-4H3 |
| InChIKey |
KQKCQDAWNOKFQQ-UHFFFAOYSA-N |
| Molecular Weight |
222.372 g/mol |
| SMILES |
C(C(C)C1CCC(=CC1)C)C(CC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860617 |
![4-Heptanone, 2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-, [S-(R*,S*)]-](/api/spectrum/IOOpZVB6jkD/structure.png?h=300&w=458 "4-Heptanone, 2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-, [S-(R*,S*)]-")
