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BSVHGCSUQNLYEE-MKNVGELUSA-N

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BSVHGCSUQNLYEE-MKNVGELUSA-N
SpectraBase Compound ID IWsU5Ue84Gu
InChI InChI=1S/C23H22Cl2N4O2/c1-2-29-19(11-18-13-28(15-26-18)12-16-6-4-3-5-7-16)14-31-23(29)27-22(30)20-9-8-17(24)10-21(20)25/h3-10,13,15,19H,2,11-12,14H2,1H3/b27-23-/t19-/m0/s1
InChIKey BSVHGCSUQNLYEE-MKNVGELUSA-N
Mol Weight 457.36 g/mol
Molecular Formula C23H22Cl2N4O2
Exact Mass 456.111981 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWhvhicFMOC
Name BSVHGCSUQNLYEE-MKNVGELUSA-N
Compound Number 12D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22Cl2N4O2
InChI InChI=1S/C23H22Cl2N4O2/c1-2-29-19(11-18-13-28(15-26-18)12-16-6-4-3-5-7-16)14-31-23(29)27-22(30)20-9-8-17(24)10-21(20)25/h3-10,13,15,19H,2,11-12,14H2,1H3/b27-23-/t19-/m0/s1
InChIKey BSVHGCSUQNLYEE-MKNVGELUSA-N
Literature Reference Author T.H.KIM,H.RAPOPORT
Literature Reference Citation J.ORG.CHEM.,55,3699(1990)
Literature Reference DOI 10.1021/jo00298a069
Molecular Weight 457.359 g/mol
Solvent CDCl3
Source File Reference UWCS11228