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diethyl 6-benzyl-5-oxo-4a,7,7a,8-tetrahydrofuro[3,2-f]isoindole-4,4-dicarboxylate
SpectraBase Compound ID 1oITrTuQmyI
InChI InChI=1S/C23H25NO6/c1-3-28-21(26)23(22(27)29-4-2)17-10-11-30-18(17)12-16-14-24(20(25)19(16)23)13-15-8-6-5-7-9-15/h5-11,16,19H,3-4,12-14H2,1-2H3/t16-,19-/m1/s1
InChIKey LIXRXVURMLETOI-VQIMIIECSA-N
Mol Weight 411.45 g/mol
Molecular Formula C23H25NO6
Exact Mass 411.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDdfRPYl6j3
Name diethyl 6-benzyl-5-oxo-4a,7,7a,8-tetrahydrofuro[3,2-f]isoindole-4,4-dicarboxylate
Appearance Colorless oil
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Formula C23H25NO6
InChI InChI=1S/C23H25NO6/c1-3-28-21(26)23(22(27)29-4-2)17-10-11-30-18(17)12-16-14-24(20(25)19(16)23)13-15-8-6-5-7-9-15/h5-11,16,19H,3-4,12-14H2,1-2H3/t16-,19-/m1/s1
InChIKey LIXRXVURMLETOI-VQIMIIECSA-N
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3665
Molecular Weight 411.454 g/mol
Reported Formula C23H25NO6
SMILES [C@@]12(C(c3c(C[C@@]2(CN(C1=O)Cc1ccccc1)[H])occ3)(C(OCC)=O)C(OCC)=O)[H]
SPLASH splash10-001i-9061000000-b92d3cf4ea78843f5351
Source of Spectrum Y-56-2600-4a
Thin-Layer Chromatography Rf = 0.7 (hexane/ether, 1:8)
Wiley ID 1859648