| SpectraBase Spectrum ID |
CIsDxewFlIf |
| Name |
Azuleno[6,5-B]furan-2,5-dione, 3,3A,4,4A,7A,8,9,9A-octahydro-4A,8-dimethyl-3-methylene-, (3A.alpha.,4A.beta.,7A.alpha.,8.alpha.,9A.alpha.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.125594437 u |
| Formula |
C15H18O3 |
| InChI |
InChI=1S/C15H18O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h4-5,8,10-12H,2,6-7H2,1,3H3/t8-,10-,11+,12-,15+/m0/s1 |
| InChIKey |
OSSDUQKWVVZIGP-WHBBUDTDSA-N |
| Molecular Weight |
246.306 g/mol |
| SMILES |
[C@@]12([C@](C=CC2=O)([C@](C[C@@]2(OC(C([C@@]2(C1)[H])=C)=O)[H])(C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862876 |
![Azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4a,8-dimethyl-3-methylene-, (3a.alpha.,4a.beta.,7a.alpha.,8.alpha.,9a.alpha.)-(.+-.)-](/api/spectrum/CIsDxewFlIf/structure.png?h=300&w=458 "Azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4a,8-dimethyl-3-methylene-, (3a.alpha.,4a.beta.,7a.alpha.,8.alpha.,9a.alpha.)-(.+-.)-")
