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3-[5-(2-CHLORO-PHENYL)-1,3,4-OXADIAZOL-2-YL]-2-[2-[(2,6-DICHLORO-PHENYL)-AMINO]-BENZYL]-QUINAZOLIN-4(3H)-ONE
SpectraBase Compound ID 63RebXpNBwI
InChI InChI=1S/C29H18Cl3N5O2/c30-20-11-4-2-9-18(20)27-35-36-29(39-27)37-25(33-24-15-6-3-10-19(24)28(37)38)16-17-8-1-5-14-23(17)34-26-21(31)12-7-13-22(26)32/h1-15,34H,16H2
InChIKey DTZJINOWAQNLLC-UHFFFAOYSA-N
Mol Weight 574.86 g/mol
Molecular Formula C29H18Cl3N5O2
Exact Mass 573.052608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3E3XdVA5YYc
Name 3-[5-(2-CHLORO-PHENYL)-1,3,4-OXADIAZOL-2-YL]-2-[2-[(2,6-DICHLORO-PHENYL)-AMINO]-BENZYL]-QUINAZOLIN-4(3H)-ONE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H18Cl3N5O2
InChI InChI=1S/C29H18Cl3N5O2/c30-20-11-4-2-9-18(20)27-35-36-29(39-27)37-25(33-24-15-6-3-10-19(24)28(37)38)16-17-8-1-5-14-23(17)34-26-21(31)12-7-13-22(26)32/h1-15,34H,16H2
InChIKey DTZJINOWAQNLLC-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 574.853 g/mol
Sample ID 2995
Solvent DMSO-D6