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2-Hydroxy-2-methyl-2-(1',3',4',5',6'-pentahydropyrimidin-2'-ylium)-1-[(p-chlorophenyl)imino]-thiolate
SpectraBase Compound ID 3X8mppZBPwy
InChI InChI=1S/C13H16ClN3OS/c1-13(18,11-15-7-2-8-16-11)12(19)17-10-5-3-9(14)4-6-10/h3-6,18H,2,7-8H2,1H3,(H,15,16)(H,17,19)
InChIKey UKYXDOCNUBFYPH-UHFFFAOYSA-N
Mol Weight 297.8 g/mol
Molecular Formula C13H16ClN3OS
Exact Mass 297.070261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mvJYIS51ut
Name 2-Hydroxy-2-methyl-2-(1',3',4',5',6'-pentahydropyrimidin-2'-ylium)-1-[(p-chlorophenyl)imino]-thiolate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16ClN3OS
InChI InChI=1S/C13H16ClN3OS/c1-13(18,11-15-7-2-8-16-11)12(19)17-10-5-3-9(14)4-6-10/h3-6,18H,2,7-8H2,1H3,(H,15,16)(H,17,19)
InChIKey UKYXDOCNUBFYPH-UHFFFAOYSA-N
Molecular Weight 297.804 g/mol
SMILES N1CCCN=[C+]1C([C-](=Nc1ccc(cc1)Cl)S)(O)C
SPLASH splash10-004i-0900000000-bf69147df654d1df182e
Source of Spectrum D1-2002-1833-2
Wiley ID 1548154