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4H-1,2,4-Triazole-3-acetonitrile, 5-(3-chlorophenyl)-
SpectraBase Compound ID 6reOPY1pWH6
InChI InChI=1S/C10H7ClN4/c11-8-3-1-2-7(6-8)10-13-9(4-5-12)14-15-10/h1-3,6H,4H2,(H,13,14,15)
InChIKey VQCSCJSXSIZMTK-UHFFFAOYSA-N
Mol Weight 218.65 g/mol
Molecular Formula C10H7ClN4
Exact Mass 218.035924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQx0sEBoi7d
Name 4H-1,2,4-Triazole-3-acetonitrile, 5-(3-chlorophenyl)-
Alternate Name(s) 2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7ClN4
InChI InChI=1S/C10H7ClN4/c11-8-3-1-2-7(6-8)10-13-9(4-5-12)14-15-10/h1-3,6H,4H2,(H,13,14,15)
InChIKey VQCSCJSXSIZMTK-UHFFFAOYSA-N
Molecular Weight 218.647 g/mol
SMILES [nH]1c(nnc1-c1cccc(c1)Cl)CC#N
SPLASH splash10-0gbi-7940000000-d3cb4988aa2d09021fe9
Source of Spectrum IY-2-4709-6
Wiley ID 1655079