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5-bromo-2-(hexadecylthio)pyrimidin-4(3H)-one
SpectraBase Compound ID GZaYppieZQe
InChI InChI=1S/C20H35BrN2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-20-22-17-18(21)19(24)23-20/h17H,2-16H2,1H3,(H,22,23,24)
InChIKey FKFREQATZGAABI-UHFFFAOYSA-N
Mol Weight 431.5 g/mol
Molecular Formula C20H35BrN2OS
Exact Mass 430.165348 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5eV71NZZRhd
Name 5-bromo-2-(hexadecylthio)pyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H35BrN2OS
InChI InChI=1S/C20H35BrN2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-20-22-17-18(21)19(24)23-20/h17H,2-16H2,1H3,(H,22,23,24)
InChIKey FKFREQATZGAABI-UHFFFAOYSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1898
Molecular Weight 431.477 g/mol
Reported Formula C20H35N2OSBr
SMILES N1C(=NC=C(C1=O)Br)SCCCCCCCCCCCCCCCC
SPLASH splash10-0a59-0198100000-01218b87be9ef5f9ba2b
Source of Spectrum RCM-19-1210-4
Wiley ID 1836455