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(-)-ECHINOBETAINE_A
SpectraBase Compound ID K4pjmlIgPvj
InChI InChI=1S/C8H17NO3/c1-9(2,3)5-7(6-12-4)8(10)11/h7H,5-6H2,1-4H3
InChIKey PAJPPKOLTBGLSP-UHFFFAOYSA-N
Mol Weight 175.23 g/mol
Molecular Formula C8H17NO3
Exact Mass 175.120843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ozaJ5mQlOy
Name (-)-ECHINOBETAINE_A
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H17NO3
InChI InChI=1S/C8H17NO3/c1-9(2,3)5-7(6-12-4)8(10)11/h7H,5-6H2,1-4H3
InChIKey PAJPPKOLTBGLSP-UHFFFAOYSA-N
Literature Reference Author R.J.CAPON,D.VUONG,E.LACEY,J.H.GILL
Literature Reference Citation J.NAT.PROD.,68,179(2005)
Literature Reference DOI 10.1021/np049687h
Molecular Weight 175.228 g/mol
Solvent D2O
Source File Reference UWMZ8798