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2H-Cyclohepta[b]furan-3-carboxylic acid, 8-(acetyloxy)octahydro-2-oxo-, ethyl ester, (3.alpha.,3a.alpha.,8.beta.,8a.alpha.)-
SpectraBase Compound ID 2eHOJkB27sM
InChI InChI=1S/C14H20O6/c1-3-18-13(16)11-9-6-4-5-7-10(19-8(2)15)12(9)20-14(11)17/h9-12H,3-7H2,1-2H3/t9-,10-,11+,12+/m1/s1
InChIKey HSFZFKFNTMDQPT-WYUUTHIRSA-N
Mol Weight 284.31 g/mol
Molecular Formula C14H20O6
Exact Mass 284.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Y9mD3408Yq
Name 2H-Cyclohepta[b]furan-3-carboxylic acid, 8-(acetyloxy)octahydro-2-oxo-, ethyl ester, (3.alpha.,3a.alpha.,8.beta.,8a.alpha.)-
Alternate Name(s) (3a.alpha,8a.alpha.)-ethyl 8.beta.-acetoxy-2-oxooctahydro-2H-cyclohepta[b]furan-3.alpha.-carboxylate Ethyl (3S,3aR,8R,8aS)-8-(acetyloxy)-2-oxooctahydro-2H-cyclohepta[b]furan-3-carboxylate
CAS Registry Number 107115-47-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O6
InChI InChI=1S/C14H20O6/c1-3-18-13(16)11-9-6-4-5-7-10(19-8(2)15)12(9)20-14(11)17/h9-12H,3-7H2,1-2H3/t9-,10-,11+,12+/m1/s1
InChIKey HSFZFKFNTMDQPT-WYUUTHIRSA-N
Molecular Weight 284.308 g/mol
SMILES C1([C@@]([C@]2(CCCC[C@]([C@]2(O1)[H])(OC(=O)C)[H])[H])(C(=O)OCC)[H])=O
SPLASH splash10-0f6x-2930000000-4b1020f702de0c85d9a9
Source of Spectrum J-52-1434-2
Wiley ID 1287649