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3a-Tropane benzoate N-cation

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3a-Tropane benzoate N-cation
SpectraBase Compound ID 1B7CTxV47rf
InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/p+1/t12-,13+,14?
InChIKey XQJMXPAEFMWDOZ-PBWFPOADSA-O
Mol Weight 246.33 g/mol
Molecular Formula C15H20NO2
Exact Mass 246.149404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8fr6R0YUnKL
Name 3a-Tropane benzoate N-cation
Comments chloride
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H20NO2
InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/p+1/t12-,13+,14?
InChIKey XQJMXPAEFMWDOZ-PBWFPOADSA-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 D2O