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JIQNAXZDSSCXBQ-UHFFFAOYSA-M

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JIQNAXZDSSCXBQ-UHFFFAOYSA-M
SpectraBase Compound ID 5MEGSaMFcIv
InChI InChI=1S/C36H31N2O.ClHO4/c1-2-3-23-38-33(28-15-9-5-10-16-28)24-32(27-13-7-4-8-14-27)25-34(38)29-19-21-30(22-20-29)35-26-37-36(39-35)31-17-11-6-12-18-31;2-1(3,4)5/h4-22,24-26H,2-3,23H2,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKey JIQNAXZDSSCXBQ-UHFFFAOYSA-M
Mol Weight 607.1 g/mol
Molecular Formula C36H31ClN2O5
Exact Mass 606.19215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2oCgVNwW19Y
Name JIQNAXZDSSCXBQ-UHFFFAOYSA-M
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H31ClN2O5
InChI InChI=1S/C36H31N2O.ClHO4/c1-2-3-23-38-33(28-15-9-5-10-16-28)24-32(27-13-7-4-8-14-27)25-34(38)29-19-21-30(22-20-29)35-26-37-36(39-35)31-17-11-6-12-18-31;2-1(3,4)5/h4-22,24-26H,2-3,23H2,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKey JIQNAXZDSSCXBQ-UHFFFAOYSA-M
Literature Reference Author A.R.KATRITZKY,O.A.SCHWARZ,A.E.A.RAHMAN,D.E.LEAHY
Literature Reference Citation J.HETCYCL.CHEM.,21,1673(1984)
Literature Reference DOI 10.1002/jhet.5570210621
Molecular Weight 607.106 g/mol
Solvent CDCl3:CF3COOH
Source File Reference UWCS9261