| SpectraBase Spectrum ID |
3c2jau6vspR |
| Name |
(5as,9as)-6,6,9A-Trimethyl-4,5,5A,7,8,9-hexahydrobenzo[E]isobenzofuran-1,3-dione |
| 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/c1-14(2)7-4-8-15(3)10(14)6-5-9-11(15)13(17)18-12(9)16/h10H,4-8H2,1-3H3/t10-,15-/m0/s1 |
| InChIKey |
NUBXRJRLTZRJIE-BONVTDFDSA-N |
| Molecular Weight |
248.322 g/mol |
| SMILES |
C1=2C(OC(C2CC[C@@]2([C@@]1(CCCC2(C)C)C)[H])=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877467 |
![(5aS,9aS)-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydrobenzo[e]isobenzofuran-1,3-dione](/api/spectrum/3c2jau6vspR/structure.png?h=300&w=458 "(5aS,9aS)-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydrobenzo[e]isobenzofuran-1,3-dione")
