| SpectraBase Spectrum ID |
1eHChOV2XzP |
| Name |
(5aS,9aS)-3-Methyl-2,3,4,5a,6,8,9,9a-octahydrodibenzo[b,d]furan-1,7-dione |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.109944372 u |
| Formula |
C13H16O3 |
| GC Column |
HP-5MS (15 m x 0.25 mm) |
| InChI |
InChI=1S/C13H16O3/c1-7-4-10(15)13-9-3-2-8(14)6-11(9)16-12(13)5-7/h7,9,11H,2-6H2,1H3/t7?,9-,11+/m1/s1 |
| InChIKey |
VOAJEYIRZCVMKI-GRJHXRNZSA-N |
| Instrument Name |
Hewlett Packard Model 6890 GC-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201505027 |
| Molecular Weight |
220.268 g/mol |
| Quality |
320 |
| SMILES |
[C@@]12([C@](OC3=C2C(=O)CC(C3)C)([H])CC(CC1)=O)[H] |
| SPLASH |
splash10-0629-3930000000-93fb5ee9906ce13b74a5 |
| Sample Comments |
Mixture of diastereomers (1:1) |
| Source of Spectrum |
QE-22-SM11-3m (DOI: 10.1002/chem.201505027) |
| Thin-Layer Chromatography |
0.33 (hexanes/EtOAc, 1:2) |
| Wiley ID |
1903657 |
![(5aS,9aS)-3-Methyl-2,3,4,5a,6,8,9,9a-octahydrodibenzo[b,d]furan-1,7-dione](/api/spectrum/1eHChOV2XzP/structure.png?h=300&w=458 "(5aS,9aS)-3-Methyl-2,3,4,5a,6,8,9,9a-octahydrodibenzo[b,d]furan-1,7-dione")
