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6-Methyl-2-(3-methylphenyl)-4-pyrimidinyl 4-methylbenzenesulfonate
SpectraBase Compound ID DPlLCRNESyX
InChI InChI=1S/C19H18N2O3S/c1-13-7-9-17(10-8-13)25(22,23)24-18-12-15(3)20-19(21-18)16-6-4-5-14(2)11-16/h4-12H,1-3H3
InChIKey IWRDCCRRDOJYIU-UHFFFAOYSA-N
Mol Weight 354.42 g/mol
Molecular Formula C19H18N2O3S
Exact Mass 354.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MNUhcH83cw
Name 6-Methyl-2-(3-methylphenyl)-4-pyrimidinyl 4-methylbenzenesulfonate
Alternate Name(s) 4-Methylbenzenesulfonic acid [6-methyl-2-(3-methylphenyl)-4-pyrimidinyl] ester [6-methyl-2-(m-tolyl)pyrimidin-4-yl] 4-methylbenzenesulfonate [6-methyl-2-(3-methylphenyl)pyrimidin-4-yl] 4-methylbenzenesulfonate
CAS Registry Number 284665-34-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N2O3S
InChI InChI=1S/C19H18N2O3S/c1-13-7-9-17(10-8-13)25(22,23)24-18-12-15(3)20-19(21-18)16-6-4-5-14(2)11-16/h4-12H,1-3H3
InChIKey IWRDCCRRDOJYIU-UHFFFAOYSA-N
Molecular Weight 354.424 g/mol
SMILES Cc1ccc(S(Oc2nc(-c3cc(C)ccc3)nc(c2)C)(=O)=O)cc1
SPLASH splash10-000f-9360000000-4aed0cf6ef487cbc9a9e
Source of Spectrum AD-0-2532-0
Wiley ID 1429546