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5-[1-Cyano-2-(4-chlorophenylamino)-2-methylthioethenyl]tetrazole
SpectraBase Compound ID GWSaOoFaoUl
InChI InChI=1S/C11H9ClN6S/c1-19-11(9(6-13)10-15-17-18-16-10)14-8-4-2-7(12)3-5-8/h2-5,14H,1H3,(H,15,16,17,18)/b11-9+
InChIKey WHJPYNQCSWQYMN-PKNBQFBNSA-N
Mol Weight 292.75 g/mol
Molecular Formula C11H9ClN6S
Exact Mass 292.029793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BcVOZYQyCN0
Name 5-[1-Cyano-2-(4-chlorophenylamino)-2-methylthioethenyl]tetrazole
Comments Less than 3 mono-isotopic peaks
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Formula C11H9ClN6S
InChI InChI=1S/C11H9ClN6S/c1-19-11(9(6-13)10-15-17-18-16-10)14-8-4-2-7(12)3-5-8/h2-5,14H,1H3,(H,15,16,17,18)/b11-9+
InChIKey WHJPYNQCSWQYMN-PKNBQFBNSA-N
Molecular Weight 292.748 g/mol
SMILES [nH]1c(\C(=C/(Nc2ccc(cc2)Cl)SC)C#N)nnn1
SPLASH splash10-0005-0090000000-76da23a70628509dcde8
Source of Spectrum SO-0-454-8
Synonyms (2E)-3-(4-chloroanilino)-3-(methylsulfanyl)-2-(1H-tetraazol-5-yl)-2-propenenitrile
Wiley ID 1540006