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2-hydroxyisophthalic acid, dimethyl ester, N-(2,3-xylyl)benzimidate
SpectraBase Compound ID GO8XGYvyOBf
InChI InChI=1S/C25H23NO5/c1-16-10-8-15-21(17(16)2)26-23(18-11-6-5-7-12-18)31-22-19(24(27)29-3)13-9-14-20(22)25(28)30-4/h5-15H,1-4H3/b26-23+
InChIKey INCKPVJQOOBFJH-WNAAXNPUSA-N
Mol Weight 417.46 g/mol
Molecular Formula C25H23NO5
Exact Mass 417.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ET0rcLYuFJe
Name 2-HYDROXYISOPHTHALIC ACID, DIMETHYL ESTER, N-(2,3-XYLYL)BENZIMIDATE
Source of Sample C. F. Barfknecht, the University of Iowa, Iowa City, Iowa
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23NO5
InChI InChI=1S/C25H23NO5/c1-16-10-8-15-21(17(16)2)26-23(18-11-6-5-7-12-18)31-22-19(24(27)29-3)13-9-14-20(22)25(28)30-4/h5-15H,1-4H3/b26-23+
InChIKey INCKPVJQOOBFJH-WNAAXNPUSA-N
Melting Point 92.5-94C
Molecular Weight 417.47
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ISOPHTHALIC ACID, 2-HYDROXY-, DIMETHYL ESTER, N-/2,3-XYLYL/BENZIMIDATE