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VACCININE_A;3-ALPHA-HYDROXY-4-ALPHA-[(1-METHYL-1-H-PYRROL-2-YL)-CARBANOYL]-TROPANE
SpectraBase Compound ID F9qSXnQQZgK
InChI InChI=1S/C14H20N2O3/c1-15-7-3-4-11(15)14(18)19-13-10-6-5-9(16(10)2)8-12(13)17/h3-4,7,9-10,12-13,17H,5-6,8H2,1-2H3/t9-,10-,12-,13+/m1/s1
InChIKey NYJACYIWJBOONP-WFFHOREQSA-N
Mol Weight 264.32 g/mol
Molecular Formula C14H20N2O3
Exact Mass 264.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5B6DBSgSYz6
Name VACCININE_A;3-ALPHA-HYDROXY-4-ALPHA-[(1-METHYL-1-H-PYRROL-2-YL)-CARBANOYL]-TROPANE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H20N2O3
InChI InChI=1S/C14H20N2O3/c1-15-7-3-4-11(15)14(18)19-13-10-6-5-9(16(10)2)8-12(13)17/h3-4,7,9-10,12-13,17H,5-6,8H2,1-2H3/t9-,10-,12-,13+/m1/s1
InChIKey NYJACYIWJBOONP-WFFHOREQSA-N
Literature Reference Author B.ZANOLARI,D.GUILET,A.MARSTON,E.F.QUEIROZ,M.D.Q.PAULO,K.HOST ETTMANN
Literature Reference Citation J.NAT.PROD.,68,1153(2005)
Literature Reference DOI 10.1021/np040144h
Molecular Weight 264.324 g/mol
Solvent CDCl3
Source File Reference UWMZ12180