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5-bromo-4-(decylthio)-6-methylpyrimidin-2(1H)-one
SpectraBase Compound ID 1Lz4QEsZUbi
InChI InChI=1S/C15H25BrN2OS/c1-3-4-5-6-7-8-9-10-11-20-14-13(16)12(2)17-15(19)18-14/h3-11H2,1-2H3,(H,17,18,19)
InChIKey PBQJBWXKIOVKGC-UHFFFAOYSA-N
Mol Weight 361.34 g/mol
Molecular Formula C15H25BrN2OS
Exact Mass 360.087098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KjJlQy5EBOy
Name 5-bromo-4-(decylthio)-6-methylpyrimidin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H25BrN2OS
InChI InChI=1S/C15H25BrN2OS/c1-3-4-5-6-7-8-9-10-11-20-14-13(16)12(2)17-15(19)18-14/h3-11H2,1-2H3,(H,17,18,19)
InChIKey PBQJBWXKIOVKGC-UHFFFAOYSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1898
Molecular Weight 361.342 g/mol
Reported Formula C15H25N2OSBr
SMILES N1C(N=C(C(=C1C)Br)SCCCCCCCCCC)=O
SPLASH splash10-00e9-0090000000-2812e8400a75dd4d6133
Source of Spectrum RCM-19-1211-13
Wiley ID 1836448