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UYPRFSLXEBUBMC-VPKVLSHTSA-N
SpectraBase Compound ID ACMaUEfhPQJ
InChI InChI=1S/C21H28N2.ClHO4/c1-2-7-16(8-3-1)20-10-6-11-21-17-13-18(15-23(20)21)19-9-4-5-12-22(19)14-17;2-1(3,4)5/h1-3,7-8,10,17-19,21H,4-6,9,11-15H2;(H,2,3,4,5)/t17-,18-,19+,21-;/m0./s1
InChIKey UYPRFSLXEBUBMC-VPKVLSHTSA-N
Mol Weight 408.93 g/mol
Molecular Formula C21H29ClN2O4
Exact Mass 408.181585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HdFgvg9JVqV
Name UYPRFSLXEBUBMC-VPKVLSHTSA-N
Compound Number (A-30).CLO4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29ClN2O4
InChI InChI=1S/C21H28N2.ClHO4/c1-2-7-16(8-3-1)20-10-6-11-21-17-13-18(15-23(20)21)19-9-4-5-12-22(19)14-17;2-1(3,4)5/h1-3,7-8,10,17-19,21H,4-6,9,11-15H2;(H,2,3,4,5)/t17-,18-,19+,21-;/m0./s1
InChIKey UYPRFSLXEBUBMC-VPKVLSHTSA-N
Literature Reference Author B.MIKHOVA,H.DUDDECK
Literature Reference Citation MAGN.RES.CHEM.,36,779(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(1998110)36:11<779::aid-omr374>3.3.co;2-r
Molecular Weight 408.925 g/mol
Solvent CD3CN