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MAJOR-CONSTITUENT

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MAJOR-CONSTITUENT
SpectraBase Compound ID 8qyj5WGW2S1
InChI InChI=1S/C20H23N3O3.CH2O2/c1-14-22-17(24)18(25)23(14)13-12-20(19(21)26,15-8-4-2-5-9-15)16-10-6-3-7-11-16;2-1-3/h2-11,17-18,24-25H,12-13H2,1H3,(H2,21,26);1H,(H,2,3)/t17-,18-;/m1./s1
InChIKey IYXNPVXVIJGJSM-JAXOOIEVSA-N
Mol Weight 399.45 g/mol
Molecular Formula C21H25N3O5
Exact Mass 399.179421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DS2kJJrOF4T
Name MAJOR-CONSTITUENT
Compound Number (TRANS)-#M-11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25N3O5
InChI InChI=1S/C20H23N3O3.CH2O2/c1-14-22-17(24)18(25)23(14)13-12-20(19(21)26,15-8-4-2-5-9-15)16-10-6-3-7-11-16;2-1-3/h2-11,17-18,24-25H,12-13H2,1H3,(H2,21,26);1H,(H,2,3)/t17-,18-;/m1./s1
InChIKey IYXNPVXVIJGJSM-JAXOOIEVSA-N
Literature Reference Author S.OHMORI,M.MIURA,C.TORIUMI,Y.SATOH,T.OOIE
Literature Reference Citation DRUG.MET.DISP.,35,1624(2007)
Literature Reference DOI 10.1124/dmd.107.016030
Molecular Weight 399.447 g/mol
Source File Reference UWLU74137