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4-AMINO-2,5,6-TRICHLOROISOPHTHALONITRILE

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4-AMINO-2,5,6-TRICHLOROISOPHTHALONITRILE
SpectraBase Compound ID 3SV7h8dygXP
InChI InChI=1S/C8H2Cl3N3/c9-5-3(1-12)6(10)7(11)8(14)4(5)2-13/h14H2
InChIKey TVPBUTWXLGJXNY-UHFFFAOYSA-N
Mol Weight 246.48 g/mol
Molecular Formula C8H2Cl3N3
Exact Mass 244.93143 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IOsXWUZYBKK
Name 4-AMINO-2,5,6-TRICHLOROISOPHTHALONITRILE
Source of Sample R. Rupprecht, W. Bremser BASF Ludwigshafen (1981)
CAS Registry Number 67205-44-1
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H2Cl3N3
InChI InChI=1S/C8H2Cl3N3/c9-5-3(1-12)6(10)7(11)8(14)4(5)2-13/h14H2
InChIKey TVPBUTWXLGJXNY-UHFFFAOYSA-N
Molecular Weight 246.48
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WM-360
Synonyms ISOPHTHALONITRILE, 4-AMINO- 2,5,6-TRICHLORO-,