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(5aS,9aS)-9a-Methyl-2,3,4,5a,6,8,9,9a-octahydrodibenzo[b,d]furan-1,7-dione
SpectraBase Compound ID 56JIwJFqWz9
InChI InChI=1S/C13H16O3/c1-13-6-5-8(14)7-11(13)16-10-4-2-3-9(15)12(10)13/h11H,2-7H2,1H3/t11-,13+/m0/s1
InChIKey JYDCOYQUJCAQKM-WCQYABFASA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lWYhfj4ot2
Name (5aS,9aS)-9a-Methyl-2,3,4,5a,6,8,9,9a-octahydrodibenzo[b,d]furan-1,7-dione
Appearance Colorless liquid
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/c1-13-6-5-8(14)7-11(13)16-10-4-2-3-9(15)12(10)13/h11H,2-7H2,1H3/t11-,13+/m0/s1
InChIKey JYDCOYQUJCAQKM-WCQYABFASA-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 245
SMILES [C@@]12([C@](OC3=C2C(=O)CCC3)([H])CC(CC1)=O)C
SPLASH splash10-03di-2910000000-3c59522c3d80caa1608d
Source of Spectrum QE-22-SM11-3l (DOI: 10.1002/chem.201505027)
Thin-Layer Chromatography 0.45 (hexanes/EtOAc, 1:2)
Wiley ID 1903656