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5-Butyl-6-(p-toluenesulphonyl)pyrimidin-4(3H)-one
SpectraBase Compound ID CNWpBElqdUb
InChI InChI=1S/C15H18N2O3S/c1-3-4-5-13-14(18)16-10-17-15(13)21(19,20)12-8-6-11(2)7-9-12/h6-10H,3-5H2,1-2H3,(H,16,17,18)
InChIKey IKBHHRSHYGRWBJ-UHFFFAOYSA-N
Mol Weight 306.38 g/mol
Molecular Formula C15H18N2O3S
Exact Mass 306.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H92W9YIDK45
Name 5-Butyl-6-(p-toluenesulphonyl)pyrimidin-4(3H)-one
Alternate Name(s) 5-Butyl-6-[(4-methylphenyl)sulfonyl]-4(3H)-pyrimidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18N2O3S
InChI InChI=1S/C15H18N2O3S/c1-3-4-5-13-14(18)16-10-17-15(13)21(19,20)12-8-6-11(2)7-9-12/h6-10H,3-5H2,1-2H3,(H,16,17,18)
InChIKey IKBHHRSHYGRWBJ-UHFFFAOYSA-N
Molecular Weight 306.380 g/mol
SMILES N1C(C(=C(N=C1)S(c1ccc(cc1)C)(=O)=O)CCCC)=O
SPLASH splash10-0udi-1290000000-eb3938929c171a99b9cc
Source of Spectrum F-55-3398-9
Wiley ID 837027