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3-Cyano-1-(5-methyl[1,2,3]triazol-4-yl)pent-1-ene
SpectraBase Compound ID JYrC1GI05JS
InChI InChI=1S/C9H12N4/c1-3-8(6-10)4-5-9-7(2)11-13-12-9/h4-5,8H,3H2,1-2H3,(H,11,12,13)/b5-4+
InChIKey NRBCLMLLPOLBPW-SNAWJCMRSA-N
Mol Weight 176.22 g/mol
Molecular Formula C9H12N4
Exact Mass 176.106196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8RhRjtURh4
Name 3-Cyano-1-(5-methyl[1,2,3]triazol-4-yl)pent-1-ene
Alternate Name(s) (3E)-2-ethyl-4-(5-methyl-1H-1,2,3-triazol-4-yl)-3-butenenitrile 3-Cyano-1-(5-methyl-2H-[1,2,3]triazol-4-yl)pent-1-ene
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Formula C9H12N4
InChI InChI=1S/C9H12N4/c1-3-8(6-10)4-5-9-7(2)11-13-12-9/h4-5,8H,3H2,1-2H3,(H,11,12,13)/b5-4+
InChIKey NRBCLMLLPOLBPW-SNAWJCMRSA-N
Molecular Weight 176.223 g/mol
SMILES [nH]1nc(c(n1)\C=C\C(C#N)CC)C
SPLASH splash10-000t-0900000000-c1002ccf021a586ad98a
Source of Spectrum F-49-709-16
Wiley ID 1172187