| SpectraBase Spectrum ID |
D7k00HMssxb |
| Name |
(3as,5R,5as,8as,9ar)-5,8A-Dimethyl-1-methylene-3A,4,5,5A,6,7,9,9A-octahydroazuleno[7,6-D]furan-2,8-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.141244501 u |
| Formula |
C15H20O3 |
| InChI |
InChI=1S/C15H20O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h8,10-12H,2,4-7H2,1,3H3/t8-,10-,11+,12+,15+/m1/s1 |
| InChIKey |
DCKYPAZZUYXYTC-SCGWIAOYSA-N |
| Molecular Weight |
248.322 g/mol |
| SMILES |
C1(=O)CC[C@]2([C@@](C[C@]3([C@](C[C@]12C)(C(C(=O)O3)=C)[H])[H])(C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894216 |
![(3aS,5R,5aS,8aS,9aR)-5,8a-dimethyl-1-methylene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[7,6-d]furan-2,8-quinone](/api/spectrum/D7k00HMssxb/structure.png?h=300&w=458 "(3aS,5R,5aS,8aS,9aR)-5,8a-dimethyl-1-methylene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[7,6-d]furan-2,8-quinone")
