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1,2-bis{4'-[.alpha.-Methylbenzyl)aminocarbonyl]-2',3'-dimethoxyphenyl]-ethane
SpectraBase Compound ID 9ajws2wahaQ
InChI InChI=1S/C36H40N2O6/c1-23(25-13-9-7-10-14-25)37-35(39)29-21-19-27(31(41-3)33(29)43-5)17-18-28-20-22-30(34(44-6)32(28)42-4)36(40)38-24(2)26-15-11-8-12-16-26/h7-16,19-24H,17-18H2,1-6H3,(H,37,39)(H,38,40)/t23-,24-/m0/s1
InChIKey WVCKIHFOTLUODB-ZEQRLZLVSA-N
Mol Weight 596.7 g/mol
Molecular Formula C36H40N2O6
Exact Mass 596.288637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFizGdiHJrM
Name 1,2-bis{4'-[.alpha.-Methylbenzyl)aminocarbonyl]-2',3'-dimethoxyphenyl]-ethane
Comments Less than 3 mono-isotopic peaks
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Formula C36H40N2O6
InChI InChI=1S/C36H40N2O6/c1-23(25-13-9-7-10-14-25)37-35(39)29-21-19-27(31(41-3)33(29)43-5)17-18-28-20-22-30(34(44-6)32(28)42-4)36(40)38-24(2)26-15-11-8-12-16-26/h7-16,19-24H,17-18H2,1-6H3,(H,37,39)(H,38,40)/t23-,24-/m0/s1
InChIKey WVCKIHFOTLUODB-ZEQRLZLVSA-N
Molecular Weight 596.724 g/mol
SMILES N(C(c1ccc(CCc2ccc(C(N[C@](c3ccccc3)(C)[H])=O)c(c2OC)OC)c(c1OC)OC)=O)[C@](c1ccccc1)(C)[H]
SPLASH splash10-0002-0000900000-88fb6f73ef32841f5319
Source of Spectrum D1-1996-567-3
Wiley ID 834766