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N-(Cyanoethyl)-N-ethyl-4-(2-chloro-4-nitrophenylazo)-aniline

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-(Cyanoethyl)-N-ethyl-4-(2-chloro-4-nitrophenylazo)-aniline
SpectraBase Compound ID 69b4pFc36Ae
InChI InChI=1S/C17H16ClN5O2/c1-2-22(11-3-10-19)14-6-4-13(5-7-14)20-21-17-9-8-15(23(24)25)12-16(17)18/h4-9,12H,2-3,11H2,1H3/b21-20+
InChIKey NPBDWXMKLFBNIW-QZQOTICOSA-N
Mol Weight 357.8 g/mol
Molecular Formula C17H16ClN5O2
Exact Mass 357.099252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1HTiw4WLTW
Name N-(Cyanoethyl)-N-ethyl-4-(2-chloro-4-nitrophenylazo)-aniline
Comments Computed using HOSE algorithm
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Exact Mass 357.099252473 u
Formula C17H16ClN5O2
InChI InChI=1S/C17H16ClN5O2/c1-2-22(11-3-10-19)14-6-4-13(5-7-14)20-21-17-9-8-15(23(24)25)12-16(17)18/h4-9,12H,2-3,11H2,1H3/b21-20+
InChIKey NPBDWXMKLFBNIW-QZQOTICOSA-N
Molecular Weight 357.801 g/mol
SMILES C=1(N(=O)=O)C=C(Cl)C(\N=N\C=2C=CC(=CC2)N(CCC#N)CC)=CC1