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WCANESPIOIPEPJ-AWTHQZBNSA-N

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WCANESPIOIPEPJ-AWTHQZBNSA-N
SpectraBase Compound ID Eq7JIwVTwLF
InChI InChI=1S/C21H23N3O3/c1-20-21(27,17-8-7-16(25)12-18(17)23-20)10-11-24(20)13-15-4-2-14(3-5-15)6-9-19(22)26/h2-9,12,23,25,27H,10-11,13H2,1H3,(H2,22,26)/b9-6+/t20-,21+/m0/s1
InChIKey WCANESPIOIPEPJ-AWTHQZBNSA-N
Mol Weight 365.43 g/mol
Molecular Formula C21H23N3O3
Exact Mass 365.173942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jd5eA9CsEZ9
Name WCANESPIOIPEPJ-AWTHQZBNSA-N
Compound Number M8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23N3O3
InChI InChI=1S/C21H23N3O3/c1-20-21(27,17-8-7-16(25)12-18(17)23-20)10-11-24(20)13-15-4-2-14(3-5-15)6-9-19(22)26/h2-9,12,23,25,27H,10-11,13H2,1H3,(H2,22,26)/b9-6+/t20-,21+/m0/s1
InChIKey WCANESPIOIPEPJ-AWTHQZBNSA-N
Literature Reference Author A.FREDENHAGEN,M.KITTELMANN,L.OBERER,A.KUHN,J.KUEHNOEL,T.DELE MONTE,R.AICHHOLZ,P.W
Literature Reference Citation DRUG.MET.DISP.,40,1041(2012)
Literature Reference DOI 10.1124/dmd.111.043620
Molecular Weight 365.432 g/mol
Source File Reference UWLU75291