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[2-[2-[(2,6-DICHLORO-PHENYL)-AMINO]-BENZYL]-6-IODO-4-OXO-QUINAZOLIN-3(4H)-YL]-ACETIC-ACID
SpectraBase Compound ID 2j7YeYbqg3F
InChI InChI=1S/C23H16Cl2IN3O3/c24-16-5-3-6-17(25)22(16)28-18-7-2-1-4-13(18)10-20-27-19-9-8-14(26)11-15(19)23(32)29(20)12-21(30)31/h1-9,11,28H,10,12H2,(H,30,31)
InChIKey LZVHWKRMZGVRCA-UHFFFAOYSA-N
Mol Weight 580.21 g/mol
Molecular Formula C23H16Cl2IN3O3
Exact Mass 578.961342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F1EsP8Avjsz
Name [2-[2-[(2,6-DICHLORO-PHENYL)-AMINO]-BENZYL]-6-IODO-4-OXO-QUINAZOLIN-3(4H)-YL]-ACETIC-ACID
Compound Number 11C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H16Cl2IN3O3
InChI InChI=1S/C23H16Cl2IN3O3/c24-16-5-3-6-17(25)22(16)28-18-7-2-1-4-13(18)10-20-27-19-9-8-14(26)11-15(19)23(32)29(20)12-21(30)31/h1-9,11,28H,10,12H2,(H,30,31)
InChIKey LZVHWKRMZGVRCA-UHFFFAOYSA-N
Literature Reference Author N.B.PATEL,J.C.PATEL
Literature Reference Citation SCI.PHARM.,78,171(2010)
Literature Reference DOI 10.3797/scipharm.0912-16
Molecular Weight 580.209 g/mol
Sample ID 3009
Solvent DMSO-D6