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3-[1-(4-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-propionitrile
SpectraBase Compound ID DMQIcx66ge5
InChI InChI=1S/C11H11N5OS/c1-17-10-5-3-9(4-6-10)16-11(13-14-15-16)18-8-2-7-12/h3-6H,2,8H2,1H3
InChIKey OGQPLRUSBKMGTK-UHFFFAOYSA-N
Mol Weight 261.3 g/mol
Molecular Formula C11H11N5OS
Exact Mass 261.068431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EedMkX5Zsg6
Name 3-[1-(4-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-propionitrile
Alternate Name(s) 3-([1-(4-Methoxyphenyl)-1H-tetraazol-5-yl]sulfanyl)propanenitrile 3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanenitrile 3-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanenitrile 3-[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]propanenitrile 3-[[1-(4-methoxyphenyl)tetrazol-5-yl]thio]propionitrile
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Formula C11H11N5OS
InChI InChI=1S/C11H11N5OS/c1-17-10-5-3-9(4-6-10)16-11(13-14-15-16)18-8-2-7-12/h3-6H,2,8H2,1H3
InChIKey OGQPLRUSBKMGTK-UHFFFAOYSA-N
Molecular Weight 261.303 g/mol
SMILES COc1ccc(-[n]2c(nnn2)SCCC#N)cc1
SPLASH splash10-0002-5900000000-88c1212bd7b70653b1f7
Wiley ID 1460359