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3alpha-hydroxy-8-methyl-1alphaH,5alphaH-tropanium bromide, (+,-)-tropate (ester)
SpectraBase Compound ID LhEqaXksD7S
InChI InChI=1S/C18H26NO3.BrH/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;/h3-7,14-17,20H,8-12H2,1-2H3;1H/q+1;/p-1/t14-,15+,16+,17?;
InChIKey XMLNCADGRIEXPK-KUMOIWDRSA-M
Mol Weight 384.314 g/mol
Molecular Formula C18H26BrNO3
Exact Mass 383.109607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lv2Rx6GFv1E
Name 3alpha-HYDROXY-8-METHYL-1alphaH,5alphaH-TROPANIUM BROMIDE, (+/-)-TROPATE (ESTER
Source of Sample E. Merck AG, Darmstadt, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26BrNO3
InChI InChI=1S/C18H26NO3.BrH/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;/h3-7,14-17,20H,8-12H2,1-2H3;1H/q+1;/p-1/t14-,15+,16+,17?;
InChIKey XMLNCADGRIEXPK-KUMOIWDRSA-M
Molecular Weight 384.32
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms TROPANIUM BROMIDE, 1AH,5AH-, 3A- HYDROXY-8-METHYL-, TROPATE (ESTER), /racemic/