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3-Chloro-4-(pyrimidin-2-yl)phenyl 4-methylbenzenesulfonate
SpectraBase Compound ID FtxaYsIkvic
InChI InChI=1S/C17H13ClN2O3S/c1-12-3-6-14(7-4-12)24(21,22)23-13-5-8-15(16(18)11-13)17-19-9-2-10-20-17/h2-11H,1H3
InChIKey XPXFCLAWYONBSL-UHFFFAOYSA-N
Mol Weight 360.82 g/mol
Molecular Formula C17H13ClN2O3S
Exact Mass 360.033541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TjjbjfjrgN
Name 3-Chloro-4-(pyrimidin-2-yl)phenyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClN2O3S
InChI InChI=1S/C17H13ClN2O3S/c1-12-3-6-14(7-4-12)24(21,22)23-13-5-8-15(16(18)11-13)17-19-9-2-10-20-17/h2-11H,1H3
InChIKey XPXFCLAWYONBSL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200900778
Molecular Weight 360.815 g/mol
SMILES c1cc(-c2ncccn2)c(Cl)cc1OS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-06r6-9706000000-3a4441adf8bbbb83b7a7
Source of Spectrum ASC-352-329/SM12-2d
Wiley ID 1764270