| SpectraBase Spectrum ID |
1FrtsNsmKMA |
| Name |
2-(2,5-Dimethylbenzyl)-3-[(2,5-dimethylbenzyl)oxy]-2-cyclohexen-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.208930140 u |
| Formula |
C24H28O2 |
| InChI |
InChI=1S/C24H28O2/c1-16-8-10-18(3)20(12-16)14-22-23(25)6-5-7-24(22)26-15-21-13-17(2)9-11-19(21)4/h8-13H,5-7,14-15H2,1-4H3 |
| InChIKey |
VUWUVEUXFGWDMI-UHFFFAOYSA-N |
| Molecular Weight |
348.486 g/mol |
| SMILES |
C1C(C(=C(CC1)OCC=1C=C(C=CC1C)C)CC=1C(=CC=C(C1)C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.867062 |
![2-(2,5-Dimethylbenzyl)-3-[(2,5-dimethylbenzyl)oxy]-2-cyclohexen-1-one](/api/spectrum/1FrtsNsmKMA/structure.png?h=300&w=458 "2-(2,5-Dimethylbenzyl)-3-[(2,5-dimethylbenzyl)oxy]-2-cyclohexen-1-one")
