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5-bromo-4-(tetradecylthio)pyrimidin-2(1H)-one
SpectraBase Compound ID KnKqvqo20kO
InChI InChI=1S/C18H31BrN2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-17-16(19)15-20-18(22)21-17/h15H,2-14H2,1H3,(H,20,21,22)
InChIKey XMMZJLYUHYAOFI-UHFFFAOYSA-N
Mol Weight 403.42 g/mol
Molecular Formula C18H31BrN2OS
Exact Mass 402.134048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CaNaSwxmsTQ
Name 5-bromo-4-(tetradecylthio)pyrimidin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31BrN2OS
InChI InChI=1S/C18H31BrN2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-17-16(19)15-20-18(22)21-17/h15H,2-14H2,1H3,(H,20,21,22)
InChIKey XMMZJLYUHYAOFI-UHFFFAOYSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1898
Molecular Weight 403.423 g/mol
Reported Formula C18H31N2OSBr
SMILES N1C(N=C(C(=C1)Br)SCCCCCCCCCCCCCC)=O
SPLASH splash10-05fr-0092000000-6fc3f7dfd1848d980588
Source of Spectrum RCM-19-1210-11
Wiley ID 1836447