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(3aS,7aS)-Ethyl 2-methyl-6-oxo-3a,4,5,6,7,7a-hexahydrobenzofuran-3-carboxylate
SpectraBase Compound ID LTyCJg00GnK
InChI InChI=1S/C12H16O4/c1-3-15-12(14)11-7(2)16-10-6-8(13)4-5-9(10)11/h9-10H,3-6H2,1-2H3/t9-,10+/m1/s1
InChIKey HPZDRRXCWNUHBW-ZJUUUORDSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lebn8ZtINUv
Name (3aS,7aS)-Ethyl 2-methyl-6-oxo-3a,4,5,6,7,7a-hexahydrobenzofuran-3-carboxylate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.104858991 u
Formula C12H16O4
GC Column HP-5MS (15 m x 0.25 mm)
InChI InChI=1S/C12H16O4/c1-3-15-12(14)11-7(2)16-10-6-8(13)4-5-9(10)11/h9-10H,3-6H2,1-2H3/t9-,10+/m1/s1
InChIKey HPZDRRXCWNUHBW-ZJUUUORDSA-N
Instrument Name Hewlett Packard Model 6890 GC-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201505027
Molecular Weight 224.256 g/mol
Quality 241
SMILES [C@@]12([C@](OC(=C2C(=O)OCC)C)([H])CC(CC1)=O)[H]
SPLASH splash10-06dr-2920000000-4dae4248fb4ff7435ad1
Source of Spectrum QE-22-SM14-3r (DOI: 10.1002/chem.201505027)
Thin-Layer Chromatography 0.40 (hexane/EtOAc, 1:1)
Wiley ID 1903662