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1,3-Bis[(4-phenyloxazolin-2-yl)methyl]-5-(oxazolin-2-yl)methyl-2,4,6-trimethylbenzene
SpectraBase Compound ID 4kdcKcOrxjN
InChI InChI=1S/C33H35N3O3/c1-21-26(16-31-34-14-15-37-31)22(2)28(18-33-36-30(20-39-33)25-12-8-5-9-13-25)23(3)27(21)17-32-35-29(19-38-32)24-10-6-4-7-11-24/h4-13,29-30H,14-20H2,1-3H3
InChIKey BCVCEBQSGZMMPC-UHFFFAOYSA-N
Mol Weight 521.7 g/mol
Molecular Formula C33H35N3O3
Exact Mass 521.267842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6538GiIjOZK
Name 1,3-Bis[(4-phenyloxazolin-2-yl)methyl]-5-(oxazolin-2-yl)methyl-2,4,6-trimethylbenzene
Alternate Name(s) 2-{3-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2,4,6-trimethyl-5-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]benzyl}-4-phenyl-4,5-dihydro-1,3-oxazole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H35N3O3
InChI InChI=1S/C33H35N3O3/c1-21-26(16-31-34-14-15-37-31)22(2)28(18-33-36-30(20-39-33)25-12-8-5-9-13-25)23(3)27(21)17-32-35-29(19-38-32)24-10-6-4-7-11-24/h4-13,29-30H,14-20H2,1-3H3
InChIKey BCVCEBQSGZMMPC-UHFFFAOYSA-N
Molecular Weight 521.661 g/mol
SMILES c1(c(c(c(c(c1C)CC=1OCCN1)C)CC=1OCC(N1)c1ccccc1)C)CC=1OCC(N1)c1ccccc1
SPLASH splash10-00di-0000190000-03b30249035beb728894
Source of Spectrum Y1-45-6838-3
Wiley ID 1622179