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Butanoic acid, 2-[(4,5-dicyano-2-nitrophenyl)amino]-3-methyl-
SpectraBase Compound ID EYMR9FsIJTx
InChI InChI=1S/C13H12N4O4/c1-7(2)12(13(18)19)16-10-3-8(5-14)9(6-15)4-11(10)17(20)21/h3-4,7,12,16H,1-2H3,(H,18,19)
InChIKey VNPFNMGCCQGWEE-UHFFFAOYSA-N
Mol Weight 288.26 g/mol
Molecular Formula C13H12N4O4
Exact Mass 288.085855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5sw3mCvnxa3
Name Butanoic acid, 2-[(4,5-dicyano-2-nitrophenyl)amino]-3-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N4O4
InChI InChI=1S/C13H12N4O4/c1-7(2)12(13(18)19)16-10-3-8(5-14)9(6-15)4-11(10)17(20)21/h3-4,7,12,16H,1-2H3,(H,18,19)
InChIKey VNPFNMGCCQGWEE-UHFFFAOYSA-N
Molecular Weight 288.263 g/mol
SMILES N(c1cc(c(cc1N(=O)=O)C#N)C#N)C(C(O)=O)C(C)C
SPLASH splash10-0006-9520000000-b4d6b50b61cffd5eefb2
Source of Spectrum IY-1-4637-9
Synonyms 2-(4,5-dicyano-2-nitroanilino)-3-methylbutanoic acid 2-(4,5-dicyano-2-nitro-anilino)-3-methyl-butanoic acid 2-[(4,5-dicyano-2-nitro-phenyl)amino]-3-methyl-butanoic acid
Wiley ID 1654362