For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-bromo-4-(hexadecylthio)-6-methylpyrimidin-2(1H)-one
SpectraBase Compound ID GczYj8ykoaA
InChI InChI=1S/C21H37BrN2OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-20-19(22)18(2)23-21(25)24-20/h3-17H2,1-2H3,(H,23,24,25)
InChIKey IZDLMYLDKSBYHD-UHFFFAOYSA-N
Mol Weight 445.5 g/mol
Molecular Formula C21H37BrN2OS
Exact Mass 444.180998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BipafnLFlu7
Name 5-bromo-4-(hexadecylthio)-6-methylpyrimidin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H37BrN2OS
InChI InChI=1S/C21H37BrN2OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-20-19(22)18(2)23-21(25)24-20/h3-17H2,1-2H3,(H,23,24,25)
InChIKey IZDLMYLDKSBYHD-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(N=C(C(=C1C)Br)SCCCCCCCCCCCCCCCC)=O
SPLASH splash10-00di-0091000000-3d232e820f44853fb60d
Source of Spectrum RCM-19-1211-16
Wiley ID 1836451