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N-(4-Acetylamino-phenyl)-4-chloro-3-nitro-benzamide

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

N-(4-Acetylamino-phenyl)-4-chloro-3-nitro-benzamide
SpectraBase Compound ID FhcovjTWTol
InChI InChI=1S/C15H12ClN3O4/c1-9(20)17-11-3-5-12(6-4-11)18-15(21)10-2-7-13(16)14(8-10)19(22)23/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKey TUWKWNJZQUNACT-UHFFFAOYSA-N
Mol Weight 333.73 g/mol
Molecular Formula C15H12ClN3O4
Exact Mass 333.051634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWJJfHXi2xA
Name N-(4-Acetylamino-phenyl)-4-chloro-3-nitro-benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.051633574 u
Formula C15H12ClN3O4
InChI InChI=1S/C15H12ClN3O4/c1-9(20)17-11-3-5-12(6-4-11)18-15(21)10-2-7-13(16)14(8-10)19(22)23/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKey TUWKWNJZQUNACT-UHFFFAOYSA-N
Molecular Weight 333.731 g/mol
SMILES CC(NC1=CC=C(NC(C=2C=C(N(=O)=O)C(=CC2)Cl)=O)C=C1)=O