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2-(4'-Chlorophenylimino-5'-methyl-1',3'-oxathiolan-5'-yl)perhydropyrimidin-2-ylium iodide
SpectraBase Compound ID I7opj3b4lOP
InChI InChI=1S/C8H13N3OS.CH3Cl.5CH4.HI/c1-5(2)11-7-12-8(3,4-13-7)6(9)10;1-2;;;;;;/h1,4H2,2-3H3,(H3,9,10);1H3;5*1H4;1H/b11-7-;;;;;;;
InChIKey ZWUNPDXCEITTKL-AEQQJQEXSA-N
Mol Weight 457.89 g/mol
Molecular Formula C14H37ClIN3OS
Exact Mass 457.139057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fYUJtf7N89
Name 2-(4'-Chlorophenylimino-5'-methyl-1',3'-oxathiolan-5'-yl)perhydropyrimidin-2-ylium iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17ClIN3OS
InChI InChI=1S/C8H13N3OS.CH3Cl.5CH4.HI/c1-5(2)11-7-12-8(3,4-13-7)6(9)10;1-2;;;;;;/h1,4H2,2-3H3,(H3,9,10);1H3;5*1H4;1H/b11-7-;;;;;;;
InChIKey ZWUNPDXCEITTKL-AEQQJQEXSA-N
Molecular Weight 457.887 g/mol
SMILES [I-].N[C+](C1(O\C(=N\C(C)=C)SC1)C)N.CCl.C.C.C.C.C
SPLASH splash10-0002-0190000000-d7392fc9e4c41f3156b0
Source of Spectrum F4-0-2947-5
Synonyms 2-[(2Z)-2-[(4-chlorophenyl)imino]-5-methyl-1,3-oxathiolan-5-yl]-1,3-diazinan-2-ylium iodide
Wiley ID 1618952