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(2R,3S)-2,3-bis(4-propan-2-ylphenyl)butane-1,1,4,4-tetracarboxylic acid tetraethyl ester
SpectraBase Compound ID AL3DKGjsLiU
InChI InChI=1S/C34H46O8/c1-9-39-31(35)29(32(36)40-10-2)27(25-17-13-23(14-18-25)21(5)6)28(26-19-15-24(16-20-26)22(7)8)30(33(37)41-11-3)34(38)42-12-4/h13-22,27-30H,9-12H2,1-8H3/t27-,28+
InChIKey MELJAAADWYBKIR-HNRBIFIRSA-N
Mol Weight 582.7 g/mol
Molecular Formula C34H46O8
Exact Mass 582.319268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11r9KbaId5r
Name (2R,3S)-2,3-bis(4-propan-2-ylphenyl)butane-1,1,4,4-tetracarboxylic acid tetraethyl ester
Alternate Name(s) (2R,3S)-2,3-bis(p-cumenyl)butane-1,1,4,4-tetracarboxylic acid tetraethyl ester tetraethyl (2R,3S)-2,3-bis(4-isopropylphenyl)butane-1,1,4,4-tetracarboxylate tetraethyl (2R,3S)-2,3-bis(4-propan-2-ylphenyl)butane-1,1,4,4-tetracarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H46O8
InChI InChI=1S/C34H46O8/c1-9-39-31(35)29(32(36)40-10-2)27(25-17-13-23(14-18-25)21(5)6)28(26-19-15-24(16-20-26)22(7)8)30(33(37)41-11-3)34(38)42-12-4/h13-22,27-30H,9-12H2,1-8H3/t27-,28+
InChIKey MELJAAADWYBKIR-HNRBIFIRSA-N
Molecular Weight 582.734 g/mol
SMILES C([C@@]([C@@](C(C(=O)OCC)C(=O)OCC)(c1ccc(cc1)C(C)C)[H])(c1ccc(cc1)C(C)C)[H])(C(=O)OCC)C(=O)OCC
SPLASH splash10-00di-0000900000-42d3456ab13b5bba7e66
Source of Spectrum E2-48-1801-2
Wiley ID 1555430