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TWIST-CONFORMER
SpectraBase Compound ID CKFIMPyJEjz
InChI InChI=1S/C21H25N3O3/c1-11(2)19-21(26)23-16(10-27-13(4)25)8-15-9-22-17-6-5-14-7-12(3)24(19)20(14)18(15)17/h5-7,9,11,16,19,22H,8,10H2,1-4H3,(H,23,26)/t16-,19-/m0/s1
InChIKey ROPQOQQANIIIEE-LPHOPBHVSA-N
Mol Weight 367.45 g/mol
Molecular Formula C21H25N3O3
Exact Mass 367.189592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9r44vBpSqla
Name TWIST-CONFORMER
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25N3O3
InChI InChI=1S/C21H25N3O3/c1-11(2)19-21(26)23-16(10-27-13(4)25)8-15-9-22-17-6-5-14-7-12(3)24(19)20(14)18(15)17/h5-7,9,11,16,19,22H,8,10H2,1-4H3,(H,23,26)/t16-,19-/m0/s1
InChIKey ROPQOQQANIIIEE-LPHOPBHVSA-N
Literature Reference Author K.IRIE,T.ISAKA,Y.IWATA,Y.YANAI,Y.NAKAMURA,F.KOIZUMI,H.OHIGAS HI,P.A.WENDER,Y.SATO
Literature Reference Citation J.AM.CHEM.SOC.,118,10733(1996)
Literature Reference DOI 10.1021/ja961727j
Molecular Weight 367.448 g/mol
Sample ID 54306
Solvent CDCl3;0.04M