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2-[N-(1-CARBOXY-2-PHENYLETHYL)-CARBAMOYL]-3,4,5,6-TETRACHLOROBENZOIC-ACID
SpectraBase Compound ID 5gXIhsdaDaw
InChI InChI=1S/C17H11Cl4NO5/c18-11-9(10(17(26)27)12(19)14(21)13(11)20)15(23)22-8(16(24)25)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,22,23)(H,24,25)(H,26,27)
InChIKey KFUBVNPFFPVJAC-UHFFFAOYSA-N
Mol Weight 451.1 g/mol
Molecular Formula C17H11Cl4NO5
Exact Mass 448.939133 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KuoZDgili4J
Name 2-[N-(1-CARBOXY-2-PHENYLETHYL)-CARBAMOYL]-3,4,5,6-TETRACHLOROBENZOIC-ACID
Compound Number A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H11Cl4NO5
InChI InChI=1S/C17H11Cl4NO5/c18-11-9(10(17(26)27)12(19)14(21)13(11)20)15(23)22-8(16(24)25)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,22,23)(H,24,25)(H,26,27)
InChIKey KFUBVNPFFPVJAC-UHFFFAOYSA-N
Literature Reference Author J.J.KHALAFY,R.H.PRAGER,C.M.WILLIAMS
Literature Reference Citation AUSTR.J.CHEM.,52,31(1999)
Literature Reference DOI 10.1071/C98093
Molecular Weight 451.090 g/mol
Solvent CDCl3:DMSO-D6
Source File Reference UWRU1436