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1,3,5-Tris[(4(S)-phenyl-2-oxazolinyl)methyl]-2,4,6-trimethylbenzene

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1,3,5-Tris[(4(S)-phenyl-2-oxazolinyl)methyl]-2,4,6-trimethylbenzene
SpectraBase Compound ID DwOQzs7fJaM
InChI InChI=1S/C39H39N3O3/c1-25-31(19-37-40-34(22-43-37)28-13-7-4-8-14-28)26(2)33(21-39-42-36(24-45-39)30-17-11-6-12-18-30)27(3)32(25)20-38-41-35(23-44-38)29-15-9-5-10-16-29/h4-18,34-36H,19-24H2,1-3H3/t34-,35-,36-/m1/s1
InChIKey ZJXMXDZUQDMNDY-KUFDTJSHSA-N
Mol Weight 597.8 g/mol
Molecular Formula C39H39N3O3
Exact Mass 597.299142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lKiuB5GL0r
Name 1,3,5-Tris[(4(S)-phenyl-2-oxazolinyl)methyl]-2,4,6-trimethylbenzene
Alternate Name(s) (4S)-4-phenyl-2-(2,4,6-trimethyl-3,5-bis{[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl}benzyl)-4,5-dihydro-1,3-oxazole (S,S,R)-2-{3,5-Bis[(4-phenyl-4,5-dihydrooxazol-2-yl)methyl]-2,4,6-trimethylphenyl}methyl-4-phenyl-4,5-dihydrooxazole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H39N3O3
InChI InChI=1S/C39H39N3O3/c1-25-31(19-37-40-34(22-43-37)28-13-7-4-8-14-28)26(2)33(21-39-42-36(24-45-39)30-17-11-6-12-18-30)27(3)32(25)20-38-41-35(23-44-38)29-15-9-5-10-16-29/h4-18,34-36H,19-24H2,1-3H3/t34-,35-,36-/m1/s1
InChIKey ZJXMXDZUQDMNDY-KUFDTJSHSA-N
Molecular Weight 597.759 g/mol
SMILES c1(c(c(CC2=N[C@@](c3ccccc3)(CO2)[H])c(c(c1C)CC1=N[C@@](c2ccccc2)(CO1)[H])C)C)CC1=N[C@@](c2ccccc2)(CO1)[H]
SPLASH splash10-0002-0000090000-582278d7aacaeaaba7a1
Source of Spectrum F-70-7231-2
Wiley ID 1597433