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5-bromo-4-(dodecylthio)-6-methylpyrimidin-2(1H)-one
SpectraBase Compound ID 5LPFucQUDGN
InChI InChI=1S/C17H29BrN2OS/c1-3-4-5-6-7-8-9-10-11-12-13-22-16-15(18)14(2)19-17(21)20-16/h3-13H2,1-2H3,(H,19,20,21)
InChIKey OJWZNAWRVNJJKW-UHFFFAOYSA-N
Mol Weight 389.4 g/mol
Molecular Formula C17H29BrN2OS
Exact Mass 388.118398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5aVipJPUKP6
Name 5-bromo-4-(dodecylthio)-6-methylpyrimidin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H29BrN2OS
InChI InChI=1S/C17H29BrN2OS/c1-3-4-5-6-7-8-9-10-11-12-13-22-16-15(18)14(2)19-17(21)20-16/h3-13H2,1-2H3,(H,19,20,21)
InChIKey OJWZNAWRVNJJKW-UHFFFAOYSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1898
Molecular Weight 389.396 g/mol
Reported Formula C17H29N2OSBr
SMILES N1C(N=C(C(=C1C)Br)SCCCCCCCCCCCC)=O
SPLASH splash10-00di-0092000000-75090fe8981508fe8901
Source of Spectrum RCM-19-1211-14
Wiley ID 1836449