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Diethyl 4,6-bis(4-methoxyphenyl)-5-oxo-3,5-dihydropentalene-2,2(1H)-dicarboxylate
SpectraBase Compound ID 61o6Ur7hgux
InChI InChI=1S/C28H28O7/c1-5-34-26(30)28(27(31)35-6-2)15-21-22(16-28)24(18-9-13-20(33-4)14-10-18)25(29)23(21)17-7-11-19(32-3)12-8-17/h7-14H,5-6,15-16H2,1-4H3
InChIKey PHMNGLVGYLFIIN-UHFFFAOYSA-N
Mol Weight 476.53 g/mol
Molecular Formula C28H28O7
Exact Mass 476.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VCcInNZVIX
Name Diethyl 4,6-bis(4-methoxyphenyl)-5-oxo-3,5-dihydropentalene-2,2(1H)-dicarboxylate
Appearance Violet solid
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Formula C28H28O7
InChI InChI=1S/C28H28O7/c1-5-34-26(30)28(27(31)35-6-2)15-21-22(16-28)24(18-9-13-20(33-4)14-10-18)25(29)23(21)17-7-11-19(32-3)12-8-17/h7-14H,5-6,15-16H2,1-4H3
InChIKey PHMNGLVGYLFIIN-UHFFFAOYSA-N
Instrument Name JEOL JMS-700 Mstation
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01631
Molecular Weight 476.525 g/mol
Reported Formula C28H28O7
SMILES c1(ccc(cc1)OC)C=1C(C(=C2CC(CC12)(C(OCC)=O)C(OCC)=O)c1ccc(cc1)OC)=O
SPLASH splash10-0a4i-9100300000-84d686171514211ed944
Source of Spectrum A1-23-SM28-2k
Thin-Layer Chromatography Rf = 0.31 (hexane/AcOEt, 5:1)
Wiley ID 1868034