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PIGOSMDBXXRXFG-UHFFFAOYSA-M

View entire compound with spectra: 1 NMR

PIGOSMDBXXRXFG-UHFFFAOYSA-M
SpectraBase Compound ID 2441OrUOrb7
InChI InChI=1S/C45H36N3O2.ClHO4/c1-2-3-27-48-40(33-19-23-35(24-20-33)42-30-46-44(49-42)37-15-9-5-10-16-37)28-39(32-13-7-4-8-14-32)29-41(48)34-21-25-36(26-22-34)43-31-47-45(50-43)38-17-11-6-12-18-38;2-1(3,4)5/h4-26,28-31H,2-3,27H2,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKey PIGOSMDBXXRXFG-UHFFFAOYSA-M
Mol Weight 750.3 g/mol
Molecular Formula C45H36ClN3O6
Exact Mass 749.229264 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2psExOxnkDE
Name PIGOSMDBXXRXFG-UHFFFAOYSA-M
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H36ClN3O6
InChI InChI=1S/C45H36N3O2.ClHO4/c1-2-3-27-48-40(33-19-23-35(24-20-33)42-30-46-44(49-42)37-15-9-5-10-16-37)28-39(32-13-7-4-8-14-32)29-41(48)34-21-25-36(26-22-34)43-31-47-45(50-43)38-17-11-6-12-18-38;2-1(3,4)5/h4-26,28-31H,2-3,27H2,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKey PIGOSMDBXXRXFG-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 750.250 g/mol
Solvent CDCl3:CF3COOH
Source File Reference UWCS9262