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3H-1,2,4-Triazolo[4,3-b][1,2,4]triazol-3-one, 1,2-dihydro-2-methyl-6-(2-methylphenyl)-
SpectraBase Compound ID KiLqQ7QTpQj
InChI InChI=1S/C11H11N5O/c1-7-5-3-4-6-8(7)9-12-10-14-15(2)11(17)16(10)13-9/h3-6H,1-2H3,(H,12,13,14)
InChIKey XXECZZVQYFBRPP-UHFFFAOYSA-N
Mol Weight 229.24 g/mol
Molecular Formula C11H11N5O
Exact Mass 229.09636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4b4EGp27t63
Name 3H-1,2,4-Triazolo[4,3-b][1,2,4]triazol-3-one, 1,2-dihydro-2-methyl-6-(2-methylphenyl)-
Alternate Name(s) 2-methyl-6-(2-methylphenyl)-2,7-dihydro-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-one 2-Methyl-6-(2-methylphenyl)-7H-1,2,4-triazolo[4,3-b][1,2,4]triazol-3-(2H)-one
CAS Registry Number 96906-86-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N5O
InChI InChI=1S/C11H11N5O/c1-7-5-3-4-6-8(7)9-12-10-14-15(2)11(17)16(10)13-9/h3-6H,1-2H3,(H,12,13,14)
InChIKey XXECZZVQYFBRPP-UHFFFAOYSA-N
Molecular Weight 229.243 g/mol
SMILES N1C(=NN2C1=NN(C2=O)C)c1c(C)cccc1
SPLASH splash10-00or-0790000000-45f7d9152b06df909639
Source of Spectrum AJ-58-741-4
Wiley ID 1230614