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Ecgonine methyl ester N-cation

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Ecgonine methyl ester N-cation
SpectraBase Compound ID 41O8PrIxsff
InChI InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/p+1/t6-,7+,8?,9+/m0/s1
InChIKey QIQNNBXHAYSQRY-QRDCSKFFSA-O
Mol Weight 200.26 g/mol
Molecular Formula C10H18NO3
Exact Mass 200.128668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JiXD7pYX3Ef
Name Ecgonine methyl ester N-cation
Comments chloride
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Formula C10H18NO3
InChI InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/p+1/t6-,7+,8?,9+/m0/s1
InChIKey QIQNNBXHAYSQRY-QRDCSKFFSA-O
Instrument Name Bruker HX-90
Literature Reference P. Hanisch, A.J. Jones, A.F.Casey, J. Chem. Soc. Perkin II 1202 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3