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trans-5,5-Diethoxycarbonyl-3a,4-dihydro-6-phenyl-3H,6H-cyclopenta[3.4-c]isoxazole
SpectraBase Compound ID 7vL7wJH5TwY
InChI InChI=1S/C18H21NO5/c1-3-22-16(20)18(17(21)23-4-2)10-13-11-24-19-15(13)14(18)12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3/t13-,14-/m0/s1
InChIKey NJLFNMKWZDVDJE-KBPBESRZSA-N
Mol Weight 331.37 g/mol
Molecular Formula C18H21NO5
Exact Mass 331.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXeCypwFAlf
Name trans-5,5-Diethoxycarbonyl-3a,4-dihydro-6-phenyl-3H,6H-cyclopenta[3.4-c]isoxazole
Alternate Name(s) (3aR,6R)-6-Phenyl-3a,4-dihydro-3H,6H-cyclopenta[c]isoxazole-5,5-dicarboxylic acid diethyl ester Diethyl (3aR,6R)-6-phenyl-3a,4-dihydro-3H-cyclopenta[c]isoxazole-5,5(6H)-dicarboxylate
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Formula C18H21NO5
InChI InChI=1S/C18H21NO5/c1-3-22-16(20)18(17(21)23-4-2)10-13-11-24-19-15(13)14(18)12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3/t13-,14-/m0/s1
InChIKey NJLFNMKWZDVDJE-KBPBESRZSA-N
Molecular Weight 331.368 g/mol
SMILES C1([C@](C2=NOC[C@@]2(C1)[H])(c1ccccc1)[H])(C(=O)OCC)C(=O)OCC
SPLASH splash10-0ab9-0962000000-ff9e3c97d64e5e1daf37
Source of Spectrum F-54-14006-5
Wiley ID 809757