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[3-(N-benzylbutyramido)-2,4,6-triiodophenyl]acetic acid

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[3-(N-benzylbutyramido)-2,4,6-triiodophenyl]acetic acid
SpectraBase Compound ID GuGHhR8tKfQ
InChI InChI=1S/C19H18I3NO3/c1-2-6-16(24)23(11-12-7-4-3-5-8-12)19-15(21)10-14(20)13(18(19)22)9-17(25)26/h3-5,7-8,10H,2,6,9,11H2,1H3,(H,25,26)
InChIKey APXYHXSAVLWPPM-UHFFFAOYSA-N
Mol Weight 689.07 g/mol
Molecular Formula C19H18I3NO3
Exact Mass 688.842078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JpBM239Gi8
Name [3-(N-BENZYLBUTYRAMIDO)-2,4,6-TRIIODOPHENYL]ACETIC ACID
Source of Sample L. Fumagalli, Braco Industria Chimica S.p.A., Milan, Italy
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18I3NO3
InChI InChI=1S/C19H18I3NO3/c1-2-6-16(24)23(11-12-7-4-3-5-8-12)19-15(21)10-14(20)13(18(19)22)9-17(25)26/h3-5,7-8,10H,2,6,9,11H2,1H3,(H,25,26)
InChIKey APXYHXSAVLWPPM-UHFFFAOYSA-N
Melting Point 102C
Molecular Weight 689.07
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ACETIC ACID, /3-/N-BENZYLBUTYRAMIDO/-2,4,6-TRIIODOPHENYL/-,