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1-(o-chlorobenzylidene)-3-thiosemicarbazide
SpectraBase Compound ID b8fgnUbPIJ
InChI InChI=1S/C8H8ClN3S/c9-7-4-2-1-3-6(7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)/b11-5+
InChIKey ZGPJVXICCFYSRT-VZUCSPMQSA-N
Mol Weight 213.69 g/mol
Molecular Formula C8H8ClN3S
Exact Mass 213.012746 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqqBjLXj83d
Name Benzaldehyde, o-chloro-, 3-thiosemicarbazone
Alternate Name(s) (E)-1-(2-chlorobenzylidene)thiosemicarbazide 2-Chlorobenzaldehyde thiosemicarbazone 1-[(E)-(2-chlorophenyl)methylideneamino]thiourea o-Chlorobenzaldehyde 3-thiosemicarbazone [(E)-(2-chlorophenyl)methyleneamino]thiourea [(E)-(2-chlorophenyl)methylideneamino]thiourea [(E)-(2-chlorobenzylidene)amino]thiourea
CAS Registry Number 5706-78-5
Comments Less than 3 mono-isotopic peaks
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Formula C8H8ClN3S
InChI InChI=1S/C8H8ClN3S/c9-7-4-2-1-3-6(7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)/b11-5+
InChIKey ZGPJVXICCFYSRT-VZUCSPMQSA-N
Molecular Weight 213.686 g/mol
SMILES N(\N=C\c1c(Cl)cccc1)C(=S)N
SPLASH splash10-03di-0090000000-2873aff9830523604c7c
Source of Spectrum F2-46-5477-3a
Wiley ID 1690243