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3-(Pyrimidin-2-yl)phenyl 4-methylbenzenesulfonate

View entire compound with spectra: 1 MS (GC)

3-(Pyrimidin-2-yl)phenyl 4-methylbenzenesulfonate
SpectraBase Compound ID 8HG9lEjNW68
InChI InChI=1S/C17H14N2O3S/c1-13-6-8-16(9-7-13)23(20,21)22-15-5-2-4-14(12-15)17-18-10-3-11-19-17/h2-12H,1H3
InChIKey FIWVBAGTUMCFCP-UHFFFAOYSA-N
Mol Weight 326.37 g/mol
Molecular Formula C17H14N2O3S
Exact Mass 326.072513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOdhdKWmK47
Name 3-(Pyrimidin-2-yl)phenyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N2O3S
InChI InChI=1S/C17H14N2O3S/c1-13-6-8-16(9-7-13)23(20,21)22-15-5-2-4-14(12-15)17-18-10-3-11-19-17/h2-12H,1H3
InChIKey FIWVBAGTUMCFCP-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo500087g
Molecular Weight 326.370 g/mol
SMILES c1(ccc(cc1)S(Oc1cc(ccc1)-c1ncccn1)(=O)=O)C
SPLASH splash10-0006-9604000000-9b0bf592407facc17102
Source of Spectrum J-79-3232-1n
Wiley ID 1746126