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2-(4'-Phenylimino-5'-methyl-1',3'-oxathiolan-5'-yl)perhydropyrimidin-2-ylium iodide
SpectraBase Compound ID Lk01fTZ6UIQ
InChI InChI=1S/C10H15N3OS.4CH4.HI/c1-4-5-7(2)13-9-14-10(3,6-15-9)8(11)12;;;;;/h4-5H,1,6H2,2-3H3,(H3,11,12);4*1H4;1H/b7-5+,13-9-;;;;;
InChIKey PCEHYJFBQYUTTD-HMDWVDIOSA-N
Mol Weight 417.39 g/mol
Molecular Formula C14H32IN3OS
Exact Mass 417.131079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mifRaFCCwx
Name 2-(4'-Phenylimino-5'-methyl-1',3'-oxathiolan-5'-yl)perhydropyrimidin-2-ylium iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18IN3OS
InChI InChI=1S/C10H15N3OS.4CH4.HI/c1-4-5-7(2)13-9-14-10(3,6-15-9)8(11)12;;;;;/h4-5H,1,6H2,2-3H3,(H3,11,12);4*1H4;1H/b7-5+,13-9-;;;;;
InChIKey PCEHYJFBQYUTTD-HMDWVDIOSA-N
Molecular Weight 417.394 g/mol
SMILES [I-].N[C+](C1(O\C(=N\C(C)=C/C=C)SC1)C)N.C.C.C.C
SPLASH splash10-03di-0190000000-68073efcfb28fea522c9
Source of Spectrum F4-0-2947-5
Synonyms 2-[(2Z)-5-methyl-2-(phenylimino)-1,3-oxathiolan-5-yl]-1,3-diazinan-2-ylium iodide
Wiley ID 1618953