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4-Isoxazolamine, N-[(2,6-dimethylphenyl)carbonimidoyl]-5-methyl-
SpectraBase Compound ID 9AXjIDLe7Rf
InChI InChI=1S/C13H13N3O/c1-9-5-4-6-10(2)13(9)15-8-14-12-7-16-17-11(12)3/h4-7H,1-3H3
InChIKey BMIUYTDVLWZFIK-UHFFFAOYSA-N
Mol Weight 227.27 g/mol
Molecular Formula C13H13N3O
Exact Mass 227.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID En7tTKU52P4
Name 4-Isoxazolamine, N-[(2,6-dimethylphenyl)carbonimidoyl]-5-methyl-
Alternate Name(s) N-(2,6-dimethylphenyl)-N'-(5-methyl-4-isoxazolyl)carbodiimide N-(2,6-dimethylphenyl)-N'-(5-methylisoxazol-4-yl)carbodiimide
CAS Registry Number 122686-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O
InChI InChI=1S/C13H13N3O/c1-9-5-4-6-10(2)13(9)15-8-14-12-7-16-17-11(12)3/h4-7H,1-3H3
InChIKey BMIUYTDVLWZFIK-UHFFFAOYSA-N
Molecular Weight 227.267 g/mol
SMILES c1(c(onc1)C)N=C=Nc1c(cccc1C)C
SPLASH splash10-003r-2930000000-34538abe48cc57dcef8d
Source of Spectrum H-72-566-5
Wiley ID 1228639