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2H-Cyclohepta[b]furan-3-carboxylic acid, octahydro-2-oxo-, methyl ester, (3.alpha.,3a.alpha.,8a.alpha.)-
SpectraBase Compound ID 46yZqG3soFL
InChI InChI=1S/C11H16O4/c1-14-10(12)9-7-5-3-2-4-6-8(7)15-11(9)13/h7-9H,2-6H2,1H3/t7-,8+,9-/m0/s1
InChIKey XDWPFFQLEUHTLI-YIZRAAEISA-N
Mol Weight 212.24 g/mol
Molecular Formula C11H16O4
Exact Mass 212.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7LjR0FJoSI
Name 2H-Cyclohepta[b]furan-3-carboxylic acid, octahydro-2-oxo-, methyl ester, (3.alpha.,3a.alpha.,8a.alpha.)-
CAS Registry Number 107172-56-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-14-10(12)9-7-5-3-2-4-6-8(7)15-11(9)13/h7-9H,2-6H2,1H3/t7-,8+,9-/m0/s1
InChIKey XDWPFFQLEUHTLI-YIZRAAEISA-N
Molecular Weight 212.245 g/mol
SMILES C1([C@@]([C@]2(CCCCC[C@]2(O1)[H])[H])(C(=O)OC)[H])=O
SPLASH splash10-03di-7900000000-0a57298a1f751a8be161
Source of Spectrum J-52-1434-2
Synonyms (3a.alpha.,8a.alpha.)-methyl 2-oxooctahydro-2H-cyclohepta[b]furan-3.alpha.-carboxylate Methyl (3S,3aR,8aR)-2-oxooctahydro-2H-cyclohepta[b]furan-3-carboxylate
Wiley ID 1211214