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N-[1-(4-chloro-2-nitroanilino)propan-2-yl]-3,5-dimethoxybenzamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

N-[1-(4-chloro-2-nitroanilino)propan-2-yl]-3,5-dimethoxybenzamide
SpectraBase Compound ID 41uc6ot2wNg
InChI InChI=1S/C18H20ClN3O5/c1-11(10-20-16-5-4-13(19)8-17(16)22(24)25)21-18(23)12-6-14(26-2)9-15(7-12)27-3/h4-9,11,20H,10H2,1-3H3,(H,21,23)
InChIKey WSKSQCYQAPQTEQ-UHFFFAOYSA-N
Mol Weight 393.83 g/mol
Molecular Formula C18H20ClN3O5
Exact Mass 393.109148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4y815vb56wc
Name N-[1-(4-Chloro-2-nitroanilino)propan-2-yl]-3,5-dimethoxybenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.109148451 u
Formula C18H20ClN3O5
InChI InChI=1S/C18H20ClN3O5/c1-11(10-20-16-5-4-13(19)8-17(16)22(24)25)21-18(23)12-6-14(26-2)9-15(7-12)27-3/h4-9,11,20H,10H2,1-3H3,(H,21,23)
InChIKey WSKSQCYQAPQTEQ-UHFFFAOYSA-N
Molecular Weight 393.827 g/mol
SMILES CC(NC(C=1C=C(OC)C=C(C1)OC)=O)CNC1=C(N(=O)=O)C=C(Cl)C=C1