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LYHMMRGHLFXWOU-ZGWNGCAPSA-N
SpectraBase Compound ID 4ONHEqCmylm
InChI InChI=1S/C21H30N2.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/h1-3,7-8,17-21H,4-6,9-15H2;(H,2,3,4,5)/t17-,18-,19-,20-,21+;/m0./s1
InChIKey LYHMMRGHLFXWOU-ZGWNGCAPSA-N
Mol Weight 410.94 g/mol
Molecular Formula C21H31ClN2O4
Exact Mass 410.197235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FiWtoQpTgJ3
Name LYHMMRGHLFXWOU-ZGWNGCAPSA-N
Compound Number (A-6).CLO4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31ClN2O4
InChI InChI=1S/C21H30N2.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/h1-3,7-8,17-21H,4-6,9-15H2;(H,2,3,4,5)/t17-,18-,19-,20-,21+;/m0./s1
InChIKey LYHMMRGHLFXWOU-ZGWNGCAPSA-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 410.941 g/mol
Solvent CD3CN