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4,6-Bis-butylamino-2,5-dichloro-isophthalonitrile
SpectraBase Compound ID 91DqDn7ve6d
InChI InChI=1S/C16H20Cl2N4/c1-3-5-7-21-15-11(9-19)13(17)12(10-20)16(14(15)18)22-8-6-4-2/h21-22H,3-8H2,1-2H3
InChIKey XZMZDCKXGFCDMH-UHFFFAOYSA-N
Mol Weight 339.27 g/mol
Molecular Formula C16H20Cl2N4
Exact Mass 338.106502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BDv04yacaJ
Name 4,6-Bis-butylamino-2,5-dichloro-isophthalonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C16H20Cl2N4
InChI InChI=1S/C16H20Cl2N4/c1-3-5-7-21-15-11(9-19)13(17)12(10-20)16(14(15)18)22-8-6-4-2/h21-22H,3-8H2,1-2H3
InChIKey XZMZDCKXGFCDMH-UHFFFAOYSA-N
Molecular Weight 339.270 g/mol
SMILES N(c1c(c(c(c(c1C#N)Cl)C#N)NCCCC)Cl)CCCC
SPLASH splash10-0002-0093000000-e95bf7a92a5337d052da
Source of Spectrum G2-4-1110-5
Synonyms 4,6-Di(butylamino)-2,5-dichloro-1,3-benzonitrile
Wiley ID 1710533