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2-Nitro-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]aniline
SpectraBase Compound ID I7EeJgOhXf2
InChI InChI=1S/C16H17N3O2/c1-12(2)14-9-7-13(8-10-14)11-17-18-15-5-3-4-6-16(15)19(20)21/h3-12,18H,1-2H3/b17-11+
InChIKey RZOIYPSQRAHXHR-GZTJUZNOSA-N
Mol Weight 283.33 g/mol
Molecular Formula C16H17N3O2
Exact Mass 283.132077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDnvpn0sLdZ
Name 2-Nitro-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]aniline
Comments Computed using HOSE algorithm
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Exact Mass 283.132076797 u
Formula C16H17N3O2
InChI InChI=1S/C16H17N3O2/c1-12(2)14-9-7-13(8-10-14)11-17-18-15-5-3-4-6-16(15)19(20)21/h3-12,18H,1-2H3/b17-11+
InChIKey RZOIYPSQRAHXHR-GZTJUZNOSA-N
SMILES C=1(C(=CC=CC1)N(=O)=O)N\N=C\C=1C=CC(C(C)C)=CC1