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4-(4-Chlorophenyl)-1-(4-methoxyphenyl)-2-pyrimidinethione

View entire compound with spectra: 2 MS (GC)

4-(4-Chlorophenyl)-1-(4-methoxyphenyl)-2-pyrimidinethione
SpectraBase Compound ID 4uXl0EUDlA0
InChI InChI=1S/C17H13ClN2OS/c1-21-15-8-6-14(7-9-15)20-11-10-16(19-17(20)22)12-2-4-13(18)5-3-12/h2-11H,1H3
InChIKey IVJCFVBYAWOVQM-UHFFFAOYSA-N
Mol Weight 328.82 g/mol
Molecular Formula C17H13ClN2OS
Exact Mass 328.043712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sRGdB63kAg
Name 4-(4-Chlorophenyl)-1-(4-methoxyphenyl)-2-pyrimidinethione
Alternate Name(s) 4-(4-Chlorophenyl)-1-(4-methoxyphenyl)pyrimidine-2-thione
CAS Registry Number 131022-31-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClN2OS
InChI InChI=1S/C17H13ClN2OS/c1-21-15-8-6-14(7-9-15)20-11-10-16(19-17(20)22)12-2-4-13(18)5-3-12/h2-11H,1H3
InChIKey IVJCFVBYAWOVQM-UHFFFAOYSA-N
Molecular Weight 328.817 g/mol
SMILES C1(N=C(c2ccc(cc2)Cl)C=CN1c1ccc(cc1)OC)=S
SPLASH splash10-016r-9102000000-1dac4ea2cd61fc9e2c76
Source of Spectrum Y-27-1443-3
Wiley ID 1326094