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5-(carboxyamino)isophthalic acid, 5-(2-chloro-4-fluorophenyl) 1,3-dimethyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

5-(carboxyamino)isophthalic acid, 5-(2-chloro-4-fluorophenyl) 1,3-dimethyl ester
SpectraBase Compound ID H7RNvin0dDm
InChI InChI=1S/C17H13ClFNO6/c1-24-15(21)9-5-10(16(22)25-2)7-12(6-9)20-17(23)26-14-4-3-11(19)8-13(14)18/h3-8H,1-2H3,(H,20,23)
InChIKey MYZAREHVRAIESH-UHFFFAOYSA-N
Mol Weight 381.74 g/mol
Molecular Formula C17H13ClFNO6
Exact Mass 381.041543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FdkKM5oG4bo
Name 5-(CARBOXYAMINO)ISOPHTHALIC ACID, 5-(2-CHLORO-4-FLUOROPHENYL)1,3-DIMETHYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClFNO6
InChI InChI=1S/C17H13ClFNO6/c1-24-15(21)9-5-10(16(22)25-2)7-12(6-9)20-17(23)26-14-4-3-11(19)8-13(14)18/h3-8H,1-2H3,(H,20,23)
InChIKey MYZAREHVRAIESH-UHFFFAOYSA-N
Molecular Weight 381.75
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ISOPHTHALIC ACID, 5-/CARBOXYAMINO/-, 5-/2-CHLORO-4-FLUOROPHENYL/ 1,3-DIMETHYL ESTER