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1,3,5-Tris[(4(S)-phenylmethyl-2-oxazolinyl)methyl]-2,4,6-trimethylbenzene
SpectraBase Compound ID L45ZfagqzLs
InChI InChI=1S/C42H45N3O3/c1-28-37(22-40-43-34(25-46-40)19-31-13-7-4-8-14-31)29(2)39(24-42-45-36(27-48-42)21-33-17-11-6-12-18-33)30(3)38(28)23-41-44-35(26-47-41)20-32-15-9-5-10-16-32/h4-18,34-36H,19-27H2,1-3H3/t34-,35-,36-/m0/s1
InChIKey GDCPZJPNRGABMA-KVBYWJEESA-N
Mol Weight 639.8 g/mol
Molecular Formula C42H45N3O3
Exact Mass 639.346092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOME8Gpxouq
Name 1,3,5-Tris[(4(S)-phenylmethyl-2-oxazolinyl)methyl]-2,4,6-trimethylbenzene
Comments Less than 3 mono-isotopic peaks
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Formula C42H45N3O3
InChI InChI=1S/C42H45N3O3/c1-28-37(22-40-43-34(25-46-40)19-31-13-7-4-8-14-31)29(2)39(24-42-45-36(27-48-42)21-33-17-11-6-12-18-33)30(3)38(28)23-41-44-35(26-47-41)20-32-15-9-5-10-16-32/h4-18,34-36H,19-27H2,1-3H3/t34-,35-,36-/m0/s1
InChIKey GDCPZJPNRGABMA-KVBYWJEESA-N
Molecular Weight 639.840 g/mol
SMILES c1(c(c(CC2=N[C@@](Cc3ccccc3)(CO2)[H])c(c(c1C)CC1=N[C@@](Cc2ccccc2)(CO1)[H])C)C)CC1=N[C@@](Cc2ccccc2)(CO1)[H]
SPLASH splash10-000e-0000069000-a761ea8e4baac6ea5c91
Source of Spectrum QE-6-3402-5
Synonyms (4S)-4-benzyl-2-(3,5-bis{[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl}-2,4,6-trimethylbenzyl)-4,5-dihydro-1,3-oxazole
Wiley ID 845130