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S-[2-(N-Acetylanilino)-1,3-selenazol-4-ylmethyl]-isothiuronium chloride
SpectraBase Compound ID C7llYwrO5qu
InChI InChI=1S/C13H14N4OSSe.ClH/c1-9(18)17(11-5-3-2-4-6-11)13-16-10(8-20-13)7-19-12(14)15;/h2-6,8H,7H2,1H3,(H3,14,15);1H
InChIKey VVWTUOLAUFCPAS-UHFFFAOYSA-N
Mol Weight 389.77 g/mol
Molecular Formula C13H15ClN4OSSe
Exact Mass 389.982032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YEFft1u5x9
Name S-[2-(N-Acetylanilino)-1,3-selenazol-4-ylmethyl]-isothiuronium chloride
Alternate Name(s) ({[2-(acetylanilino)-1,3-selenazol-4-yl]methyl}sulfanyl)(amino)methaniminium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15ClN4OSSe
InChI InChI=1S/C13H14N4OSSe.ClH/c1-9(18)17(11-5-3-2-4-6-11)13-16-10(8-20-13)7-19-12(14)15;/h2-6,8H,7H2,1H3,(H3,14,15);1H
InChIKey VVWTUOLAUFCPAS-UHFFFAOYSA-N
Molecular Weight 389.775 g/mol
SMILES [Cl-].[NH2+]=C(SCc1nc([se]c1)N(c1ccccc1)C(=O)C)N
SPLASH splash10-0006-9102000000-262c3a749ce3f88a85d0
Source of Spectrum CV-2003-1218-5
Wiley ID 1611039