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methyl 4-(2-((4-(4-[dimethylamino]phenyl)-6-(naphthalen-2-yl)pyrimidin-2-yl)thio)acetamido)benzoate
SpectraBase Compound ID BI0ViV2nIpH
InChI InChI=1S/C32H28N4O3S/c1-36(2)27-16-12-22(13-17-27)28-19-29(25-9-8-21-6-4-5-7-24(21)18-25)35-32(34-28)40-20-30(37)33-26-14-10-23(11-15-26)31(38)39-3/h4-19H,20H2,1-3H3,(H,33,37)
InChIKey YLPAMRWEIIYJLY-UHFFFAOYSA-N
Mol Weight 548.7 g/mol
Molecular Formula C32H28N4O3S
Exact Mass 548.188212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WzUZ3i7re9
Name methyl 4-(2-((4-(4-[dimethylamino]phenyl)-6-(naphthalen-2-yl)pyrimidin-2-yl)thio)acetamido)benzoate
Appearance Orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H28N4O3S
InChI InChI=1S/C32H28N4O3S/c1-36(2)27-16-12-22(13-17-27)28-19-29(25-9-8-21-6-4-5-7-24(21)18-25)35-32(34-28)40-20-30(37)33-26-14-10-23(11-15-26)31(38)39-3/h4-19H,20H2,1-3H3,(H,33,37)
InChIKey YLPAMRWEIIYJLY-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4061
Molecular Weight 548.661 g/mol
SMILES N(c1ccc(C(=O)OC)cc1)C(=O)CSc1nc(-c2ccc(N(C)C)cc2)cc(-c2ccc3ccccc3c2)n1
SPLASH splash10-0a6r-8945000000-58425fa95422d5b2cd4d
Source of Spectrum Y-57-SM32-9
Wiley ID 1860351