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KSFWGUOFFTZKTJ-UHFFFAOYSA-M

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KSFWGUOFFTZKTJ-UHFFFAOYSA-M
SpectraBase Compound ID G6B3gxgXUq0
InChI InChI=1S/C41H27N2O3.ClHO4/c1-4-10-28(11-5-1)35-24-36(29-16-20-31(21-17-29)38-26-42-40(45-38)33-12-6-2-7-13-33)44-37(25-35)30-18-22-32(23-19-30)39-27-43-41(46-39)34-14-8-3-9-15-34;2-1(3,4)5/h1-27H;(H,2,3,4,5)/q+1;/p-1
InChIKey KSFWGUOFFTZKTJ-UHFFFAOYSA-M
Mol Weight 695.13 g/mol
Molecular Formula C41H27ClN2O7
Exact Mass 694.150679 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L9hr9KfRwO2
Name KSFWGUOFFTZKTJ-UHFFFAOYSA-M
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H27ClN2O7
InChI InChI=1S/C41H27N2O3.ClHO4/c1-4-10-28(11-5-1)35-24-36(29-16-20-31(21-17-29)38-26-42-40(45-38)33-12-6-2-7-13-33)44-37(25-35)30-18-22-32(23-19-30)39-27-43-41(46-39)34-14-8-3-9-15-34;2-1(3,4)5/h1-27H;(H,2,3,4,5)/q+1;/p-1
InChIKey KSFWGUOFFTZKTJ-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 695.128 g/mol
Solvent CDCl3:CF3COOH
Source File Reference UWCS9260