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N~1~,N~3~,N~5~-tris(2-chlorobenzyl)-1,3,5-benzenetricarboxamide

View entire compound with spectra: 2 NMR

N~1~,N~3~,N~5~-tris(2-chlorobenzyl)-1,3,5-benzenetricarboxamide
SpectraBase Compound ID 3MkL5Ujl6n1
InChI InChI=1S/C30H24Cl3N3O3/c31-25-10-4-1-7-19(25)16-34-28(37)22-13-23(29(38)35-17-20-8-2-5-11-26(20)32)15-24(14-22)30(39)36-18-21-9-3-6-12-27(21)33/h1-15H,16-18H2,(H,34,37)(H,35,38)(H,36,39)
InChIKey FGFXFQKWGACRNP-UHFFFAOYSA-N
Mol Weight 580.9 g/mol
Molecular Formula C30H24Cl3N3O3
Exact Mass 579.088325 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID gv6fh63Bjj
Name N~1~,N~3~,N~5~-Tris(2-chlorobenzyl)-1,3,5-benzenetricarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 579.088324742 u
Formula C30H24Cl3N3O3
InChI InChI=1S/C30H24Cl3N3O3/c31-25-10-4-1-7-19(25)16-34-28(37)22-13-23(29(38)35-17-20-8-2-5-11-26(20)32)15-24(14-22)30(39)36-18-21-9-3-6-12-27(21)33/h1-15H,16-18H2,(H,34,37)(H,35,38)(H,36,39)
InChIKey FGFXFQKWGACRNP-UHFFFAOYSA-N
Molecular Weight 580.899 g/mol
SMILES N(C(C=1C=C(C(NCC2=C(Cl)C=CC=C2)=O)C=C(C1)C(NCC=1C(Cl)=CC=CC1)=O)=O)CC1=C(Cl)C=CC=C1