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1,4-Butanedione, 1,4-bis(2,4-dimethoxyphenyl)-2,3-bis[(4-methoxyphenyl)methyl]-, (R*,R*)-(.+-.)-
SpectraBase Compound ID sumEnaSE4t
InChI InChI=1S/C36H38O8/c1-39-25-11-7-23(8-12-25)19-31(35(37)29-17-15-27(41-3)21-33(29)43-5)32(20-24-9-13-26(40-2)14-10-24)36(38)30-18-16-28(42-4)22-34(30)44-6/h7-18,21-22,31-32H,19-20H2,1-6H3/t31-,32-/m1/s1
InChIKey JZEASBRTXDJEKK-ROJLCIKYSA-N
Mol Weight 598.7 g/mol
Molecular Formula C36H38O8
Exact Mass 598.256668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgQRXxpqxOC
Name 1,4-Butanedione, 1,4-bis(2,4-dimethoxyphenyl)-2,3-bis[(4-methoxyphenyl)methyl]-, (R*,R*)-(.+-.)-
Alternate Name(s) (2R,3R)-1,4-bis(2,4-dimethoxyphenyl)-2,3-bis(4-methoxybenzyl)-1,4-butanedione (2R,3R)-1,4-bis-(2,4-dimethoxyphenyl)-2,3-bis-(4-methoxybenzyl)butane-1,4-dione
CAS Registry Number 125409-40-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38O8
InChI InChI=1S/C36H38O8/c1-39-25-11-7-23(8-12-25)19-31(35(37)29-17-15-27(41-3)21-33(29)43-5)32(20-24-9-13-26(40-2)14-10-24)36(38)30-18-16-28(42-4)22-34(30)44-6/h7-18,21-22,31-32H,19-20H2,1-6H3/t31-,32-/m1/s1
InChIKey JZEASBRTXDJEKK-ROJLCIKYSA-N
Molecular Weight 598.692 g/mol
SMILES [C@]([C@](C(c1c(cc(cc1)OC)OC)=O)(Cc1ccc(cc1)OC)[H])(C(c1c(cc(cc1)OC)OC)=O)(Cc1ccc(cc1)OC)[H]
SPLASH splash10-014j-0931000000-87ae2024d67e2e3765e4
Source of Spectrum KC-1989-1589-13
Wiley ID 1409987