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5-bromo-4-(decylthio)pyrimidin-2(1H)-one
SpectraBase Compound ID GaQc0imrMST
InChI InChI=1S/C14H23BrN2OS/c1-2-3-4-5-6-7-8-9-10-19-13-12(15)11-16-14(18)17-13/h11H,2-10H2,1H3,(H,16,17,18)
InChIKey HQAUCOILIYTDJR-UHFFFAOYSA-N
Mol Weight 347.32 g/mol
Molecular Formula C14H23BrN2OS
Exact Mass 346.071448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 268nxbIkyW
Name 5-bromo-4-(decylthio)pyrimidin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H23BrN2OS
InChI InChI=1S/C14H23BrN2OS/c1-2-3-4-5-6-7-8-9-10-19-13-12(15)11-16-14(18)17-13/h11H,2-10H2,1H3,(H,16,17,18)
InChIKey HQAUCOILIYTDJR-UHFFFAOYSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1898
Molecular Weight 347.315 g/mol
Reported Formula C14H23N2OSBr
SMILES N1C(N=C(C(=C1)Br)SCCCCCCCCCC)=O
SPLASH splash10-0ab9-0690000000-6d52ca1605eda8064569
Source of Spectrum RCM-19-1208-9
Wiley ID 1836460