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diethyl 6-benzyl-7-oxo-4,4a,5,7a-tetrahydrofuro[2,3-f]isoindole-8,8-dicarboxylate
SpectraBase Compound ID BLD5fAdpHXE
InChI InChI=1S/C23H25NO6/c1-3-28-21(26)23(22(27)29-4-2)18-17(12-16-10-11-30-19(16)23)14-24(20(18)25)13-15-8-6-5-7-9-15/h5-11,17-18H,3-4,12-14H2,1-2H3/t17-,18+/m1/s1
InChIKey RJPHMHNQGFGYSY-MSOLQXFVSA-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 BhT2MrqcSQN
Name diethyl 6-benzyl-7-oxo-4,4a,5,7a-tetrahydrofuro[2,3-f]isoindole-8,8-dicarboxylate
Appearance Pale yellow oil
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Formula C23H25NO6
InChI InChI=1S/C23H25NO6/c1-3-28-21(26)23(22(27)29-4-2)18-17(12-16-10-11-30-19(16)23)14-24(20(18)25)13-15-8-6-5-7-9-15/h5-11,17-18H,3-4,12-14H2,1-2H3/t17-,18+/m1/s1
InChIKey RJPHMHNQGFGYSY-MSOLQXFVSA-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])cco3)(C(OCC)=O)C(OCC)=O)[H]
SPLASH splash10-00lr-9510100000-0226fc1c05a7da9e08c4
Source of Spectrum Y-56-2601-7a
Thin-Layer Chromatography Rf = 0.5 (hexane/ether 1:8)
Wiley ID 1859652