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(5aS,9S,9aS)-9-Methyl-2,3,4,5a,6,8,9,9a-octahydrodibenzo[b,d]furan-1,7-dione
SpectraBase Compound ID 44FFFNTqCn7
InChI InChI=1S/C13H16O3/c1-7-5-8(14)6-11-12(7)13-9(15)3-2-4-10(13)16-11/h7,11-12H,2-6H2,1H3/t7-,11-,12+/m0/s1
InChIKey KACMSQJEJAOLTQ-CQFDHEJISA-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 34ejGPKh8q
Name (5aS,9S,9aS)-9-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/c1-7-5-8(14)6-11-12(7)13-9(15)3-2-4-10(13)16-11/h7,11-12H,2-6H2,1H3/t7-,11-,12+/m0/s1
InChIKey KACMSQJEJAOLTQ-CQFDHEJISA-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 339
SMILES [C@@]12([C@](OC3=C2C(=O)CCC3)([H])CC(C[C@@]1(C)[H])=O)[H]
SPLASH splash10-0kor-3920000000-894ecd11fe797b91ff5b
Source of Spectrum QE-22-SM8-3g (DOI: 10.1002/chem.201505027)
Thin-Layer Chromatography 0.35 (hexanes/EtOAc, 1:2)
Wiley ID 1903651