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5-bromo-2-(hexadecylthio)-6-methylpyrimidin-4(3H)-one
SpectraBase Compound ID C87w2sEq63r
InChI InChI=1S/C21H37BrN2OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-21-23-18(2)19(22)20(25)24-21/h3-17H2,1-2H3,(H,23,24,25)
InChIKey UNEYSLVGCYLIPW-UHFFFAOYSA-N
Mol Weight 445.5 g/mol
Molecular Formula C21H37BrN2OS
Exact Mass 444.180998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbIKUisGh47
Name 5-bromo-2-(hexadecylthio)-6-methylpyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H37BrN2OS
InChI InChI=1S/C21H37BrN2OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-21-23-18(2)19(22)20(25)24-21/h3-17H2,1-2H3,(H,23,24,25)
InChIKey UNEYSLVGCYLIPW-UHFFFAOYSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1898
Molecular Weight 445.504 g/mol
Reported Formula C21H37N2OSBr
SMILES N1C(=NC(=C(C1=O)Br)C)SCCCCCCCCCCCCCCCC
SPLASH splash10-00di-0192100000-b54e9f1ac0504ec1ec83
Source of Spectrum RCM-19-1211-8
Wiley ID 1836459