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Dibenzyl 3.beta.,4.beta.-bis(3',4'-dimethoxyphenyl)-1.alpha.,2.alpha.-cyclobutanedicarboxylate
SpectraBase Compound ID IFAJ5tZwbEu
InChI InChI=1S/C36H36O8/c1-39-27-17-15-25(19-29(27)41-3)31-32(26-16-18-28(40-2)30(20-26)42-4)34(36(38)44-22-24-13-9-6-10-14-24)33(31)35(37)43-21-23-11-7-5-8-12-23/h5-20,31-34H,21-22H2,1-4H3/t31-,32+,33+,34-
InChIKey FOPFEJSGGCMECO-XDPXVBSOSA-N
Mol Weight 596.7 g/mol
Molecular Formula C36H36O8
Exact Mass 596.241018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dfLBHZ9TbX
Name Dibenzyl 3.beta.,4.beta.-bis(3',4'-dimethoxyphenyl)-1.alpha.,2.alpha.-cyclobutanedicarboxylate
Alternate Name(s) Benzyl 3.beta.,4.beta.-bis(3',4'-dimethoxyphenyl)-1.alpha.,2.alpha.-cyclobutanedicarboxylate dibenzyl (1R,2S,3R,4S)-3,4-bis(3,4-dimethoxyphenyl)-1,2-cyclobutanedicarboxylate
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Formula C36H36O8
InChI InChI=1S/C36H36O8/c1-39-27-17-15-25(19-29(27)41-3)31-32(26-16-18-28(40-2)30(20-26)42-4)34(36(38)44-22-24-13-9-6-10-14-24)33(31)35(37)43-21-23-11-7-5-8-12-23/h5-20,31-34H,21-22H2,1-4H3/t31-,32+,33+,34-
InChIKey FOPFEJSGGCMECO-XDPXVBSOSA-N
Molecular Weight 596.676 g/mol
SMILES [C@]1([C@@](c2cc(OC)c(cc2)OC)([C@@]([C@@]1(C(OCc1ccccc1)=O)[H])(C(OCc1ccccc1)=O)[H])[H])(c1cc(OC)c(cc1)OC)[H]
SPLASH splash10-0udq-0898000000-0079cb6db3b558661f0c
Source of Spectrum F2-42-3123-5
Wiley ID 1600289