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KGRIXCROKIUPQC-UHFFFAOYSA-M

View entire compound with spectra: 1 NMR

KGRIXCROKIUPQC-UHFFFAOYSA-M
SpectraBase Compound ID 7dl1SB4FHrX
InChI InChI=1S/C32H39N2O3.ClHO4/c1-6-11-20-36-32(35)26-15-13-12-14-25(26)31-27-18-16-23(33(7-2)8-3)21-29(27)37-30-22-24(17-19-28(30)31)34(9-4)10-5;2-1(3,4)5/h12-19,21-22H,6-11,20H2,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKey KGRIXCROKIUPQC-UHFFFAOYSA-M
Mol Weight 599.1 g/mol
Molecular Formula C32H39ClN2O7
Exact Mass 598.244579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 79ulr0pmMI7
Name KGRIXCROKIUPQC-UHFFFAOYSA-M
Compound Number 10
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H39ClN2O7
InChI InChI=1S/C32H39N2O3.ClHO4/c1-6-11-20-36-32(35)26-15-13-12-14-25(26)31-27-18-16-23(33(7-2)8-3)21-29(27)37-30-22-24(17-19-28(30)31)34(9-4)10-5;2-1(3,4)5/h12-19,21-22H,6-11,20H2,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKey KGRIXCROKIUPQC-UHFFFAOYSA-M
Literature Reference Author S.S.RAMOS,A.F.VILHENA,L.SANTOS,P.ALMEIDA
Literature Reference Citation MAGN.RES.CHEM.,38,475(2000)
Literature Reference DOI 10.1002/1097-458x(200006)38:6<475::aid-mrc662>3.0.co;2-x
Molecular Weight 599.124 g/mol
Solvent CDCl3