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N-(4,6-dimethyl-2-pyrimidinyl)-4-(3-

View entire compound with spectra: 2 MS (GC)

N-(4,6-dimethyl-2-pyrimidinyl)-4-(3-
SpectraBase Compound ID 4WZoT3Ggcem
InChI InChI=1S/C20H20N4O4S/c1-13-11-14(2)23-20(22-13)24-29(26,27)17-9-7-16(8-10-17)21-12-15-5-4-6-18(28-3)19(15)25/h4-12,25H,1-3H3,(H,22,23,24)/b21-12+
InChIKey SQHQWRBFFMTAAF-CIAFOILYSA-N
Mol Weight 412.46 g/mol
Molecular Formula C20H20N4O4S
Exact Mass 412.120526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 156DwTzDlJR
Name N-(4,6-DIMETHYL-2-PYRIMIDINYL)-4-(3-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H20N4O4S
InChI InChI=1S/C20H20N4O4S/c1-13-11-14(2)23-20(22-13)24-29(26,27)17-9-7-16(8-10-17)21-12-15-5-4-6-18(28-3)19(15)25/h4-12,25H,1-3H3,(H,22,23,24)/b21-12+
InChIKey SQHQWRBFFMTAAF-CIAFOILYSA-N
Molecular Weight 412.1201
SMILES N(S(c1ccc(\N=C\c2cccc(c2O)OC)cc1)(=O)=O)c1nc(C)cc(C)n1
SPLASH splash10-0ikc-9731000000-1a30a8a31fc19b8b7854
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany