| SpectraBase Spectrum ID |
GTNk48VAl0q |
| Name |
1,3,3,10,10-Pentamethyl-6-methylene-2,11-dioxatricyclo[6.3.1.0(4,12)]dodec-4-en-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.156894565 u |
| Formula |
C16H22O3 |
| InChI |
InChI=1S/C16H22O3/c1-9-7-10-12-11(8-9)14(2,3)18-16(12,6)19-15(4,5)13(10)17/h8,10,12H,1,7H2,2-6H3/t10-,12-,16-/m0/s1 |
| InChIKey |
CJECNSIOZSEUJM-PKWAYOAASA-N |
| Molecular Weight |
262.349 g/mol |
| SMILES |
[C@]12([C@@]3(C(=CC(C[C@]3([H])C(C(O1)(C)C)=O)=C)C(O2)(C)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.990295 |
![1,3,3,10,10-Pentamethyl-6-methylene-2,11-dioxatricyclo[6.3.1.0(4,12)]dodec-4-en-9-one](/api/spectrum/GTNk48VAl0q/structure.png?h=300&w=458 "1,3,3,10,10-Pentamethyl-6-methylene-2,11-dioxatricyclo[6.3.1.0(4,12)]dodec-4-en-9-one")
