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3-cyano-2,3-trans-diphenylhexanedioic acid

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

3-cyano-2,3-trans-diphenylhexanedioic acid
SpectraBase Compound ID EFUIR7rHhia
InChI InChI=1S/C19H17NO4/c20-13-19(12-18(23)24,15-9-5-2-6-10-15)16(11-17(21)22)14-7-3-1-4-8-14/h1-10,16H,11-12H2,(H,21,22)(H,23,24)/t16-,19-/s2
InChIKey JADOHMQGNBNVIA-JAXKJVMISA-N
Mol Weight 323.35 g/mol
Molecular Formula C19H17NO4
Exact Mass 323.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6LhJyIz0ZEv
Name 3-CYANO-2,3-trans-DIPHENYLHEXANEDIOIC ACID
Source of Sample H. Stetter, Institute of Organic Chemistry, Aachen, Germany
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17NO4
InChI InChI=1S/C19H17NO4/c20-13-19(12-18(23)24,15-9-5-2-6-10-15)16(11-17(21)22)14-7-3-1-4-8-14/h1-10,16H,11-12H2,(H,21,22)(H,23,24)/t16-,19-/s2
InChIKey JADOHMQGNBNVIA-JAXKJVMISA-N
Melting Point 216C
Molecular Weight 323.35
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms HEXANEDIOIC ACID, 3-CYANO- 2,3-trans-DIPHENYL-,