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Tetraethyl meso-2,3-Bis(4-biphenyl)butane-1,1,4,4-tetracarboxylate
SpectraBase Compound ID DEuh8WJCUyA
InChI InChI=1S/C40H42O8/c1-5-45-37(41)35(38(42)46-6-2)33(31-23-19-29(20-24-31)27-15-11-9-12-16-27)34(36(39(43)47-7-3)40(44)48-8-4)32-25-21-30(22-26-32)28-17-13-10-14-18-28/h9-26,33-36H,5-8H2,1-4H3/t33-,34+
InChIKey MJNRFBLQEBDYJN-AQOUDTPCSA-N
Mol Weight 650.8 g/mol
Molecular Formula C40H42O8
Exact Mass 650.287968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6n5Wvt5b4S9
Name Tetraethyl meso-2,3-Bis(4-biphenyl)butane-1,1,4,4-tetracarboxylate
Alternate Name(s) tetraethyl (2R,3S)-2,3-bis(4-phenylphenyl)butane-1,1,4,4-tetracarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C40H42O8
InChI InChI=1S/C40H42O8/c1-5-45-37(41)35(38(42)46-6-2)33(31-23-19-29(20-24-31)27-15-11-9-12-16-27)34(36(39(43)47-7-3)40(44)48-8-4)32-25-21-30(22-26-32)28-17-13-10-14-18-28/h9-26,33-36H,5-8H2,1-4H3/t33-,34+
InChIKey MJNRFBLQEBDYJN-AQOUDTPCSA-N
Molecular Weight 650.768 g/mol
SMILES C([C@@]([C@@](C(C(=O)OCC)C(=O)OCC)(c1ccc(cc1)-c1ccccc1)[H])(c1ccc(cc1)-c1ccccc1)[H])(C(=O)OCC)C(=O)OCC
SPLASH splash10-004i-0009000000-d5817716ceedfedd2b6d
Source of Spectrum E2-48-1801-2
Wiley ID 1555424