| SpectraBase Spectrum ID |
L8KMG17rEU2 |
| Name |
2-Cyclohexen-1-one, 6,6'-(1,2-ethanediyl)bis[4,4-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.193280075 u |
| Formula |
C18H26O2 |
| InChI |
InChI=1S/C18H26O2/c1-17(2)9-7-15(19)13(11-17)5-6-14-12-18(3,4)10-8-16(14)20/h7-10,13-14H,5-6,11-12H2,1-4H3 |
| InChIKey |
JRUIMHAAVKMTDC-UHFFFAOYSA-N |
| Molecular Weight |
274.404 g/mol |
| SMILES |
C=1C(C(CCC2C(C=CC(C2)(C)C)=O)CC(C1)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968405 |
