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(8R)-6beta,7beta-EPOXY-8-ETHYL-3alpha-HYDROXY-1alphaH,5alphaH-TROPANIUM BROMIDE,(-)-TROPATE (ESTER)
SpectraBase Compound ID BYYef86SYin
InChI InChI=1S/C19H26NO4.BrH/c1-3-20(2)15-9-13(10-16(20)18-17(15)24-18)23-19(22)14(11-21)12-7-5-4-6-8-12;/h4-8,13-18,21H,3,9-11H2,1-2H3;1H/q+1;/p-1/t13-,14?,15-,16+,17-,18+,20+;
InChIKey LCELQERNWLBPSY-FGWAXZAOSA-M
Mol Weight 412.324 g/mol
Molecular Formula C19H26BrNO4
Exact Mass 411.104521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LWNkUjcFu5Q
Name (8R)-6beta,7beta-EPOXY-8-ETHYL-3alpha-HYDROXY-1alphaH,5alphaH-TROPANIUM BROMIDE,(-)-TROPATE (ESTER)
Source of Sample R. Banholzer, Boehringer Ingelheim Kg, Ingelheim/Rhein, Germany
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26BrNO4
InChI InChI=1S/C19H26NO4.BrH/c1-3-20(2)15-9-13(10-16(20)18-17(15)24-18)23-19(22)14(11-21)12-7-5-4-6-8-12;/h4-8,13-18,21H,3,9-11H2,1-2H3;1H/q+1;/p-1/t13-,14?,15-,16+,17-,18+,20+;
InChIKey LCELQERNWLBPSY-FGWAXZAOSA-M
Melting Point 193-194C (dec.)
Molecular Weight 412.33
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms TROPANIUM BROMIDE, 1AH,5AH-, 6B,7B-EPOXY-8-ETHYL-3A-HYDROXY-, /minus/-TROPATE (ESTER), /8R/-,