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2H-Cyclohepta[b]furan-3-carboxylic acid, octahydro-2-oxo-, ethyl ester, (3.alpha.,3a.alpha.,8a.alpha.)-
SpectraBase Compound ID 566O31lg7GQ
InChI InChI=1S/C12H18O4/c1-2-15-11(13)10-8-6-4-3-5-7-9(8)16-12(10)14/h8-10H,2-7H2,1H3/t8-,9+,10-/m0/s1
InChIKey JNSGALQFONGMAU-AEJSXWLSSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6w6OxNVp4IJ
Name 2H-Cyclohepta[b]furan-3-carboxylic acid, octahydro-2-oxo-, ethyl ester, (3.alpha.,3a.alpha.,8a.alpha.)-
Alternate Name(s) (3a.alpha.,8a.alpha.)-ethyl 2-oxoctahydro-2H-cyclohepta[b]furan-3.alpha.-carboxylate Ethyl (3S,3aR,8aR)-2-oxooctahydro-2H-cyclohepta[b]furan-3-carboxylate
CAS Registry Number 107172-54-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-2-15-11(13)10-8-6-4-3-5-7-9(8)16-12(10)14/h8-10H,2-7H2,1H3/t8-,9+,10-/m0/s1
InChIKey JNSGALQFONGMAU-AEJSXWLSSA-N
Molecular Weight 226.272 g/mol
SMILES C1([C@@]([C@]2(CCCCC[C@]2(O1)[H])[H])(C(=O)OCC)[H])=O
SPLASH splash10-0ika-1900000000-45f4e7e688821535da50
Source of Spectrum J-52-1433-2
Wiley ID 1227306