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5-(4-Bromobenzoyl)-3-Ethyl-2-(methylthio)pyrimidin-4(3H)-one
SpectraBase Compound ID JspBJlJh4Sl
InChI InChI=1S/C14H13BrN2O2S/c1-3-17-13(19)11(8-16-14(17)20-2)12(18)9-4-6-10(15)7-5-9/h4-8H,3H2,1-2H3
InChIKey IMXWVPTVFQFCAN-UHFFFAOYSA-N
Mol Weight 353.23 g/mol
Molecular Formula C14H13BrN2O2S
Exact Mass 351.988112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CyU75RVcu
Name 5-(4-Bromobenzoyl)-3-Ethyl-2-(methylthio)pyrimidin-4(3H)-one
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13BrN2O2S
InChI InChI=1S/C14H13BrN2O2S/c1-3-17-13(19)11(8-16-14(17)20-2)12(18)9-4-6-10(15)7-5-9/h4-8H,3H2,1-2H3
InChIKey IMXWVPTVFQFCAN-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000879
Molecular Weight 353.234 g/mol
SMILES C(N1C(SC)=NC=C(C(=O)c2ccc(cc2)Br)C1=O)C
SPLASH splash10-0fl0-2934000000-fe35641843d93b2258d5
Source of Spectrum U1-2020-5535-5c
Wiley ID 1860929