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2H-Cyclohepta[b]furan-3-carboxylic acid, octahydro-2,8-dioxo-, ethyl ester, (3.alpha.,3a.beta.,8a.alpha.)-
SpectraBase Compound ID LlbMJYwvesO
InChI InChI=1S/C12H16O5/c1-2-16-11(14)9-7-5-3-4-6-8(13)10(7)17-12(9)15/h7,9-10H,2-6H2,1H3/t7-,9-,10-/m0/s1
InChIKey HBFSSBRETPBWPL-HGNGGELXSA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxhHSU7XFxm
Name 2H-Cyclohepta[b]furan-3-carboxylic acid, octahydro-2,8-dioxo-, ethyl ester, (3.alpha.,3a.beta.,8a.alpha.)-
CAS Registry Number 107172-58-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-2-16-11(14)9-7-5-3-4-6-8(13)10(7)17-12(9)15/h7,9-10H,2-6H2,1H3/t7-,9-,10-/m0/s1
InChIKey HBFSSBRETPBWPL-HGNGGELXSA-N
Molecular Weight 240.255 g/mol
SMILES C1([C@@]([C@@]2(CCCCC([C@]2(O1)[H])=O)[H])(C(=O)OCC)[H])=O
SPLASH splash10-0174-2900000000-887e01671bdf95160333
Source of Spectrum J-52-1434-5
Synonyms (3a.alpha.,8a.alpha.)-rthyl-2,8-dioxooctahydro-2H-cyclohepta[b]furan-3.alpha.-carboxylate Ethyl (3S,3aS,8aS)-2,8-dioxooctahydro-2H-cyclohepta[b]furan-3-carboxylate
Wiley ID 1242666