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trans-5,5-Diethoxycarbonyl-3a,4-dihydro-6-(4-fluorophenyl)-3H,6Hcyclopenta[3.4-c]isoxazole
SpectraBase Compound ID CZYsn9at4sm
InChI InChI=1S/C18H20FNO5/c1-3-23-16(21)18(17(22)24-4-2)9-12-10-25-20-15(12)14(18)11-5-7-13(19)8-6-11/h5-8,12,14H,3-4,9-10H2,1-2H3/t12-,14-/m0/s1
InChIKey QCDQAGXDIZHLEA-JSGCOSHPSA-N
Mol Weight 349.36 g/mol
Molecular Formula C18H20FNO5
Exact Mass 349.132551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6d6ftoruKA3
Name trans-5,5-Diethoxycarbonyl-3a,4-dihydro-6-(4-fluorophenyl)-3H,6Hcyclopenta[3.4-c]isoxazole
Alternate Name(s) (3aR,6R)-6-(4-Fluoro-phenyl)-3a,4-dihydro-3H,6H-cyclopenta[c]isoxazole-5,5-dicarboxylic acid diethyl ester Diethyl (3aR,6R)-6-(4-fluorophenyl)-3a,4-dihydro-3H-cyclopenta[c]isoxazole-5,5(6H)-dicarboxylate
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Formula C18H20FNO5
InChI InChI=1S/C18H20FNO5/c1-3-23-16(21)18(17(22)24-4-2)9-12-10-25-20-15(12)14(18)11-5-7-13(19)8-6-11/h5-8,12,14H,3-4,9-10H2,1-2H3/t12-,14-/m0/s1
InChIKey QCDQAGXDIZHLEA-JSGCOSHPSA-N
Molecular Weight 349.358 g/mol
SMILES C1([C@](C2=NOC[C@@]2(C1)[H])(c1ccc(cc1)F)[H])(C(=O)OCC)C(=O)OCC
SPLASH splash10-0002-0209000000-e7606d2d7a003c8a9f77
Source of Spectrum F-54-14007-5
Wiley ID 809751