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3-[1-(3-Chloro-4-methyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-propionitrile
SpectraBase Compound ID 1moiSFEAnOF
InChI InChI=1S/C11H10ClN5S/c1-8-3-4-9(7-10(8)12)17-11(14-15-16-17)18-6-2-5-13/h3-4,7H,2,6H2,1H3
InChIKey KXELOESPXCELFT-UHFFFAOYSA-N
Mol Weight 279.75 g/mol
Molecular Formula C11H10ClN5S
Exact Mass 279.034544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPApc3g9Dpy
Name 3-[1-(3-Chloro-4-methyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-propionitrile
Alternate Name(s) 3-[1-(3-chloro-4-methyl-phenyl)tetrazol-5-yl]sulfanylpropanenitrile 3-[[1-(3-chloranyl-4-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanenitrile 3-[[1-(3-chloro-4-methyl-phenyl)tetrazol-5-yl]thio]propionitrile 3-[[1-(3-chloro-4-methylphenyl)-5-tetrazolyl]thio]propanenitrile
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Formula C11H10ClN5S
InChI InChI=1S/C11H10ClN5S/c1-8-3-4-9(7-10(8)12)17-11(14-15-16-17)18-6-2-5-13/h3-4,7H,2,6H2,1H3
InChIKey KXELOESPXCELFT-UHFFFAOYSA-N
Molecular Weight 279.749 g/mol
SMILES Cc1ccc(-[n]2c(nnn2)SCCC#N)cc1Cl
SPLASH splash10-014i-9710000000-d50bc673d183a7b9340b
Wiley ID 1465777