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(3a.alpha.,8a.alpha.)-ethyl 8.beta.-hydroxy-2-oxoctahydro-2H-cyclohepta[b]furan-3.alpha.-carboxylate
SpectraBase Compound ID Grwdiblo1c7
InChI InChI=1S/C12H18O5/c1-2-16-11(14)9-7-5-3-4-6-8(13)10(7)17-12(9)15/h7-10,13H,2-6H2,1H3/t7-,8-,9+,10+/m1/s1
InChIKey ZHFVEUFUSSXVJS-IMSYWVGJSA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Y62Fm8LNbO
Name (3a.alpha.,8a.alpha.)-ethyl 8.beta.-hydroxy-2-oxoctahydro-2H-cyclohepta[b]furan-3.alpha.-carboxylate
CAS Registry Number 107173-13-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-2-16-11(14)9-7-5-3-4-6-8(13)10(7)17-12(9)15/h7-10,13H,2-6H2,1H3/t7-,8-,9+,10+/m1/s1
InChIKey ZHFVEUFUSSXVJS-IMSYWVGJSA-N
Molecular Weight 242.271 g/mol
SMILES O[C@]1([C@]2(OC([C@@]([C@]2(CCCC1)[H])(C(=O)OCC)[H])=O)[H])[H]
SPLASH splash10-0a6r-0900000000-ebc15a810c89f3772115
Source of Spectrum J-52-1433-2
Synonyms Ethyl (3S,3aR,8R,8aS)-8-hydroxy-2-oxooctahydro-2H-cyclohepta[b]furan-3-carboxylate
Wiley ID 1244833