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2-Hydroxy-2-methyl-2-(1',3',4',5',6',7'-hexahydro-1',3'-diazepin-2'-ylium)-1-[(p-chlorophenyl)imino]-thiolate
SpectraBase Compound ID gZtMtWc3cj
InChI InChI=1S/C14H18ClN3OS/c1-14(19,12-16-8-2-3-9-17-12)13(20)18-11-6-4-10(15)5-7-11/h4-7,19H,2-3,8-9H2,1H3,(H,16,17)(H,18,20)
InChIKey JBBKKLCYHKDAEE-UHFFFAOYSA-N
Mol Weight 311.83 g/mol
Molecular Formula C14H18ClN3OS
Exact Mass 311.085911 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vF9OPZn0Tc
Name 2-Hydroxy-2-methyl-2-(1',3',4',5',6',7'-hexahydro-1',3'-diazepin-2'-ylium)-1-[(p-chlorophenyl)imino]-thiolate
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Formula C14H18ClN3OS
InChI InChI=1S/C14H18ClN3OS/c1-14(19,12-16-8-2-3-9-17-12)13(20)18-11-6-4-10(15)5-7-11/h4-7,19H,2-3,8-9H2,1H3,(H,16,17)(H,18,20)
InChIKey JBBKKLCYHKDAEE-UHFFFAOYSA-N
Molecular Weight 311.831 g/mol
SMILES N1CCCCN=[C+]1C([C-](=Nc1ccc(cc1)Cl)S)(O)C
SPLASH splash10-0006-1900000000-3e451ef3e024e0dd0e9d
Source of Spectrum D1-2002-1833-3
Wiley ID 1548153