For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3alpha-hydroxy-8-methyl-1alphaH,5alphaH-tropanium bromide, mandelate (ester)
SpectraBase Compound ID 7cI7FMh2LvG
InChI InChI=1S/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1/t13-,14+,15+,16?;
InChIKey FUFVKLQESJNNAN-RIMUKSHESA-M
Mol Weight 370.287 g/mol
Molecular Formula C17H24BrNO3
Exact Mass 369.093957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AKQSvymzZe4
Name 3alpha-HYDROXY-8-METHYL-1alphaH,5alphaH-TROPANIUM BROMIDE, MANDELATE (ESTER)
Source of Sample McNeil Laboratories, Inc., Fort Washington, Pennsylvania
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24BrNO3
InChI InChI=1S/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1/t13-,14+,15+,16?;
InChIKey FUFVKLQESJNNAN-RIMUKSHESA-M
Melting Point 192C
Molecular Weight 370.29
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms TROPINE, MANDELATE, METHOBROMIDE HOMATROPINIUM BROMIDE, 8-METHYL-, HOMATROPINE, METHOBROMIDE