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5-bromo-2-(dodecylthio)-6-methylpyrimidin-4(3H)-one
SpectraBase Compound ID 4QNJA5BZhpp
InChI InChI=1S/C17H29BrN2OS/c1-3-4-5-6-7-8-9-10-11-12-13-22-17-19-14(2)15(18)16(21)20-17/h3-13H2,1-2H3,(H,19,20,21)
InChIKey MMLRHFFLEJDURE-UHFFFAOYSA-N
Mol Weight 389.4 g/mol
Molecular Formula C17H29BrN2OS
Exact Mass 388.118398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dcFN2vEMy
Name 5-bromo-2-(dodecylthio)-6-methylpyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H29BrN2OS
InChI InChI=1S/C17H29BrN2OS/c1-3-4-5-6-7-8-9-10-11-12-13-22-17-19-14(2)15(18)16(21)20-17/h3-13H2,1-2H3,(H,19,20,21)
InChIKey MMLRHFFLEJDURE-UHFFFAOYSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1898
Molecular Weight 389.396 g/mol
Reported Formula C17H29N2OSBr
SMILES N1C(=NC(=C(C1=O)Br)C)SCCCCCCCCCCCC
SPLASH splash10-00dl-0296000000-323903ea9811ccd529b8
Source of Spectrum RCM-19-1211-6
Wiley ID 1836457