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1-(5'-Cyanoimidazol-4'-yl)-4-acetyl-5-methyl-[1,2,3]-triazole - sodium salt
SpectraBase Compound ID 8tm1CPYnfkm
InChI InChI=1S/C9H7N6O.Na/c1-5-8(6(2)16)13-14-15(5)9-7(3-10)11-4-12-9;/h1-2H3,(H,11,12);/q-1;+1
InChIKey XAGVXVZUZROFLC-UHFFFAOYSA-N
Mol Weight 238.19 g/mol
Molecular Formula C9H7N6NaO
Exact Mass 238.057903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vkASTjkiaT
Name 1-(5'-Cyanoimidazol-4'-yl)-4-acetyl-5-methyl-[1,2,3]-triazole - sodium salt
Comments Less than 3 mono-isotopic peaks
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Formula C9H7N6NaO
InChI InChI=1S/C9H7N6O.Na/c1-5-8(6(2)16)13-14-15(5)9-7(3-10)11-4-12-9;/h1-2H3,(H,11,12);/q-1;+1
InChIKey XAGVXVZUZROFLC-UHFFFAOYSA-N
Molecular Weight 238.186 g/mol
SMILES [Na+].[nH]1[c-]nc(c1C#N)-[n]1nnc(c1C)C(=O)C
SPLASH splash10-0006-0900000000-d373612d2958fd359a3a
Source of Spectrum Y-32-459-5a
Wiley ID 1239979