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Ethyl (3aS*,6S*,7aS*)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylate ((+-)-C6-epi-Coronafacic acid ethyl ester)

View entire compound with spectra: 1 MS (GC)

Ethyl (3aS*,6S*,7aS*)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylate ((+-)-C6-epi-Coronafacic acid ethyl ester)
SpectraBase Compound ID DD20zmMO2Wv
InChI InChI=1S/C14H20O3/c1-3-9-7-11-10(5-6-13(11)15)12(8-9)14(16)17-4-2/h8-11H,3-7H2,1-2H3/t9-,10-,11-/m0/s1
InChIKey BOASRUCRIQNJSE-DCAQKATOSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IdsQ5YuFmg
Name Ethyl (3aS*,6S*,7aS*)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylate ((+-)-C6-epi-Coronafacic acid ethyl ester)
Alternate Name(s) (3aS,6S,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxylic acid ethyl ester ethyl (3aS,6S,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxylate ethyl (3aS,6S,7aS)-6-ethyl-1-oxidanylidene-2,3,3a,6,7,7a-hexahydroindene-4-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-3-9-7-11-10(5-6-13(11)15)12(8-9)14(16)17-4-2/h8-11H,3-7H2,1-2H3/t9-,10-,11-/m0/s1
InChIKey BOASRUCRIQNJSE-DCAQKATOSA-N
Molecular Weight 236.311 g/mol
SMILES C=1([C@@]2([C@@](C(=O)CC2)(C[C@@](C1)(CC)[H])[H])[H])C(=O)OCC
SPLASH splash10-00kr-0590000000-b4f57d9554b9133faeaf
Source of Spectrum F-53-9518-5
Wiley ID 802874