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3-Nitro-3'-(N-dichloroacetyl-N-ethoxyethyl-aminomethyl)-biphenyl

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

3-Nitro-3'-(N-dichloroacetyl-N-ethoxyethyl-aminomethyl)-biphenyl
SpectraBase Compound ID 5wRZ7844Jnl
InChI InChI=1S/C19H20Cl2N2O4/c1-2-27-10-9-22(19(24)18(20)21)13-14-5-3-6-15(11-14)16-7-4-8-17(12-16)23(25)26/h3-8,11-12,18H,2,9-10,13H2,1H3
InChIKey GVEYHIKGFFQRBG-UHFFFAOYSA-N
Mol Weight 411.29 g/mol
Molecular Formula C19H20Cl2N2O4
Exact Mass 410.080013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IMCWpLyEVyI
Name 3-Nitro-3'-(N-dichloroacetyl-N-ethoxyethyl-aminomethyl)-biphenyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.080012528 u
Formula C19H20Cl2N2O4
InChI InChI=1S/C19H20Cl2N2O4/c1-2-27-10-9-22(19(24)18(20)21)13-14-5-3-6-15(11-14)16-7-4-8-17(12-16)23(25)26/h3-8,11-12,18H,2,9-10,13H2,1H3
InChIKey GVEYHIKGFFQRBG-UHFFFAOYSA-N
Molecular Weight 411.285 g/mol
SMILES C1=C(C=C(C=C1)N(=O)=O)C1=CC=CC(=C1)CN(CCOCC)C(=O)C(Cl)Cl