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[2-benzylsulfanyl-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-1,4-dihydropyrimidin-5-yl]-phenyl-methanone
SpectraBase Compound ID IAvnDtv3pkd
InChI InChI=1S/C26H24N2O3S/c1-17-23(25(30)19-11-7-4-8-12-19)24(20-13-14-21(29)22(15-20)31-2)28-26(27-17)32-16-18-9-5-3-6-10-18/h3-15,24,29H,16H2,1-2H3,(H,27,28)
InChIKey VKWSKGTXYPLOCI-UHFFFAOYSA-N
Mol Weight 444.55 g/mol
Molecular Formula C26H24N2O3S
Exact Mass 444.150764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gqw43indLv5
Name [2-benzylsulfanyl-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-1,4-dihydropyrimidin-5-yl]-phenyl-methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24N2O3S
InChI InChI=1S/C26H24N2O3S/c1-17-23(25(30)19-11-7-4-8-12-19)24(20-13-14-21(29)22(15-20)31-2)28-26(27-17)32-16-18-9-5-3-6-10-18/h3-15,24,29H,16H2,1-2H3,(H,27,28)
InChIKey VKWSKGTXYPLOCI-UHFFFAOYSA-N
Instrument Name JEOL 5x102/DA-6004
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0007.g17
Molecular Weight 444.549 g/mol
SMILES N1C(=C(C(c2ccc(c(c2)OC)O)N=C1SCc1ccccc1)C(c1ccccc1)=O)C
SPLASH splash10-0006-9100000000-9c4b8e565328d917a989
Source of Spectrum ARK-2006-164-4m
Wiley ID 1871238