For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

N-[3-(2-chloro-4-nitro-anilino)propyl]-4-fluoro-benzamide

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

N-[3-(2-chloro-4-nitro-anilino)propyl]-4-fluoro-benzamide
SpectraBase Compound ID KEsUiMVEUXV
InChI InChI=1S/C16H15ClFN3O3/c17-14-10-13(21(23)24)6-7-15(14)19-8-1-9-20-16(22)11-2-4-12(18)5-3-11/h2-7,10,19H,1,8-9H2,(H,20,22)
InChIKey XVLSOUBPNFBZJH-UHFFFAOYSA-N
Mol Weight 351.77 g/mol
Molecular Formula C16H15ClFN3O3
Exact Mass 351.078597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5gDgDalFMOg
Name N-[3-(2-Chloro-4-nitro-anilino)propyl]-4-fluoro-benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.078597215 u
Formula C16H15ClFN3O3
InChI InChI=1S/C16H15ClFN3O3/c17-14-10-13(21(23)24)6-7-15(14)19-8-1-9-20-16(22)11-2-4-12(18)5-3-11/h2-7,10,19H,1,8-9H2,(H,20,22)
InChIKey XVLSOUBPNFBZJH-UHFFFAOYSA-N
Molecular Weight 351.765 g/mol
SMILES C(CCNC(C=1C=CC(=CC1)F)=O)NC1=CC=C(N(=O)=O)C=C1Cl