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Acetonitrile, 2-[[1-(3-acetylphenyl)-1H-1,2,3,4-tetrazol-5-yl]thio]-
SpectraBase Compound ID xdE2MjGIR8
InChI InChI=1S/C11H9N5OS/c1-8(17)9-3-2-4-10(7-9)16-11(13-14-15-16)18-6-5-12/h2-4,7H,6H2,1H3
InChIKey VMUCULKBKYYXJD-UHFFFAOYSA-N
Mol Weight 259.29 g/mol
Molecular Formula C11H9N5OS
Exact Mass 259.052781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMAnWTcOJV7
Name Acetonitrile, 2-[[1-(3-acetylphenyl)-1H-1,2,3,4-tetrazol-5-yl]thio]-
Alternate Name(s) 2-[[1-(3-acetylphenyl)-5-tetrazolyl]thio]acetonitrile 2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanylacetonitrile 2-[[1-(3-ethanoylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanenitrile
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Formula C11H9N5OS
InChI InChI=1S/C11H9N5OS/c1-8(17)9-3-2-4-10(7-9)16-11(13-14-15-16)18-6-5-12/h2-4,7H,6H2,1H3
InChIKey VMUCULKBKYYXJD-UHFFFAOYSA-N
Molecular Weight 259.287 g/mol
SMILES c1cc(-[n]2nnnc2SCC#N)cc(c1)C(=O)C
SPLASH splash10-0006-9720000000-447d7aa9fb22d4bf3114
Source of Spectrum IY-1-4354-5
Wiley ID 1651528