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6-Methyl-2-(4-methylphenyl)-4-pyrimidinyl 4-methylbenzenesulfonate
SpectraBase Compound ID 1a5eMyn8C1Y
InChI InChI=1S/C19H18N2O3S/c1-13-4-8-16(9-5-13)19-20-15(3)12-18(21-19)24-25(22,23)17-10-6-14(2)7-11-17/h4-12H,1-3H3
InChIKey BXXPNBVKKWHCIO-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 APBE8sZdJ71
Name 6-Methyl-2-(4-methylphenyl)-4-pyrimidinyl 4-methylbenzenesulfonate
CAS Registry Number 284665-33-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N2O3S
InChI InChI=1S/C19H18N2O3S/c1-13-4-8-16(9-5-13)19-20-15(3)12-18(21-19)24-25(22,23)17-10-6-14(2)7-11-17/h4-12H,1-3H3
InChIKey BXXPNBVKKWHCIO-UHFFFAOYSA-N
Molecular Weight 354.424 g/mol
SMILES Cc1ccc(S(Oc2nc(-c3ccc(cc3)C)nc(c2)C)(=O)=O)cc1
SPLASH splash10-000f-7390000000-e0c3c38afca24114f5bc
Source of Spectrum AD-0-2532-0
Synonyms 4-Methylbenzenesulfonic acid [6-methyl-2-(4-methylphenyl)-4-pyrimidinyl] ester [6-methyl-2-(p-tolyl)pyrimidin-4-yl] 4-methylbenzenesulfonate [6-methyl-2-(4-methylphenyl)pyrimidin-4-yl] 4-methylbenzenesulfonate
Wiley ID 1428724