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3alpha-hydroxy-8-methyl-1alphaH,5alphaH-tropanium nitrate, (+,-)-tropate (ester)
SpectraBase Compound ID 7UFib0WZuZx
InChI InChI=1S/C18H26NO3.NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;2-1(3)4/h3-7,14-17,20H,8-12H2,1-2H3;/q+1;-1/t14-,15+,16+,17?;
InChIKey NEDVJZNVOSNSHF-KUMOIWDRSA-N
Mol Weight 366.414 g/mol
Molecular Formula C18H26N2O6
Exact Mass 366.179087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID APWypCz1io4
Name 3alpha-HYDROXY-8-METHYL-1alphaH,5alphaH-TROPANIUM NITRATE, (+/-)-TROPATE (ESTER
Source of Sample E. Merck AG, Darmstadt, Germany
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26N2O6
InChI InChI=1S/C18H26NO3.NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;2-1(3)4/h3-7,14-17,20H,8-12H2,1-2H3;/q+1;-1/t14-,15+,16+,17?;
InChIKey NEDVJZNVOSNSHF-KUMOIWDRSA-N
Molecular Weight 366.42
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms TROPANIUM NITRATE, 1AH,5AH-, 3A- HYDROXY-8-METHYL-, TROPATE (ESTER) /plus,minus/