| SpectraBase Spectrum ID |
KWhs9bqyQvj |
| Name |
2-[(4,4-Dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-(furan-2-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.178023932 u |
| Formula |
C21H26O5 |
| InChI |
InChI=1S/C21H26O5/c1-20(2)8-12(22)17(13(23)9-20)19(16-6-5-7-26-16)18-14(24)10-21(3,4)11-15(18)25/h5-7,17,19,24H,8-11H2,1-4H3 |
| InChIKey |
BNCSYKIUCWOUQF-UHFFFAOYSA-N |
| Molecular Weight |
358.434 g/mol |
| SMILES |
C1(C(C2C(CC(CC2=O)(C)C)=O)C=2OC=CC2)=C(CC(CC1=O)(C)C)O |
![2-[(4,4-Dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-(furan-2-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione](/api/spectrum/KWhs9bqyQvj/structure.png?h=300&w=458 "2-[(4,4-Dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-(furan-2-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione")
