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2,6-Dideutero-4-((4-nitrophenyl)diazenyl)aniline
SpectraBase Compound ID 6p2en28SKNU
InChI InChI=1S/C12H10N4O2/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)16(17)18/h1-8H,13H2/b15-14+/i1D,2D
InChIKey UNBOSJFEZZJZLR-RGLGONDXSA-N
Mol Weight 244.25 g/mol
Molecular Formula C12H8D2N4O2
Exact Mass 244.092929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCH5TP8tXSK
Name 2,6-Dideutero-4-((4-nitrophenyl)diazenyl)aniline
Alternate Name(s) Disperse Orange, dideutero- 2,6-Dideutero-4-[(4-nitrophenyl)diazenyl]phenylamine
CAS Registry Number 730-40-5
Comments Deuterium (d2) substitution added; Note: The molecular formula of the structure shown is C12H10N4O2 - which differs from the formula reported for the mass spectrum (C12H8D2N4O2)
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Formula C12H8D2N4O2
InChI InChI=1S/C12H10N4O2/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)16(17)18/h1-8H,13H2/b15-14+/i1D,2D
InChIKey UNBOSJFEZZJZLR-RGLGONDXSA-N
Molecular Weight 244.250 g/mol
SMILES Nc1c([D])cc(\N=N\c2ccc(N(=O)=O)cc2)cc1[D]
SPLASH splash10-0006-9220000000-e4c21867e2f302e1275a
Wiley ID 1483023