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1alphaH,5alphaH-TROPAN-3alpha-OL, (-)-TROPATE (ESTER), HYDROBROMIDE

Compound with spectra: 3 NMR, and 1 FTIR

1alphaH,5alphaH-TROPAN-3alpha-OL, (-)-TROPATE (ESTER), HYDROBROMIDE
SpectraBase Compound ID 7Bu9SBJAuQ
InChI InChI=1S/C17H23NO3.BrH/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;/h2-6,13-16,19H,7-11H2,1H3;1H/t13-,14+,15+,16-;/m1./s1
InChIKey VZDNSFSBCMCXSK-PGQIENJJSA-N
Mol Weight 370.287 g/mol
Molecular Formula C17H24BrNO3
Exact Mass 369.093957 g/mol
Parent InChIKey RKUNBYITZUJHSG-FXUDXRNXSA-N
Enantiomer InChIKey VZDNSFSBCMCXSK-GBQFRTIMSA-N

View Spectrum of 1alphaH,5alphaH-TROPAN-3alpha-OL, (-)-TROPATE (ESTER), HYDROBROMIDE

13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample E. Merck AG, Darmstadt, Germany
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20

View Spectrum of 1alphaH,5alphaH-TROPAN-3alpha-OL, (-)-TROPATE (ESTER), HYDROBROMIDE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent SOLID-STATE

View Spectrum of 1alphaH,5alphaH-TROPAN-3alpha-OL, (-)-TROPATE (ESTER), HYDROBROMIDE

1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent D2O

View Spectrum of 1alphaH,5alphaH-TROPAN-3alpha-OL, (-)-TROPATE (ESTER), HYDROBROMIDE

FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample E. MERCK AG, DARMSTADT, GERMANY
Technique KBr WAFER
  • (-)-HYOSCAMINE-HBR
  • HYOSCYAMINE, HYDROBROMIDE
  • TROPAN-3A-OL, 1AH,5AH-, TROPATE /ESTER/, HYDROBROMIDE, /MINUS/
ATROPINE-AX-ME-MESYLATE
ATROPINE-AX-ME-HEMISULFATE
Atropinium cation (anti-methyl)
Atropinium cation (syn-methyl)
HYOSCYAMINSULFAT,(L-ATROPIN)
(R)-(-)-Tropanyl 2-(4'-bromophenyl)propionate
TROPANYL-(RS)-3-(4'-FLUOROPHENYL)-LACTATE;4'-F-LITTORINE
apoatropine, hydrochloride
2-(p-CHLOROPHENYL)ACRYLIC ACID, 3-TROPANYL ESTER, HYDROCHLORIDE
tropan-3-ol, m-hydroxybenzoate, hydrochloride
Title Journal or Book Year
Conformational Pseudopolymorphism and Solid-State CPMAS NMR Studies for Determination of Solvent-Dependent Solution-State Conformational Preferences for (−)-Scopolamine Hydrobromide/Hydrochloride Salts The Journal of Organic Chemistry 1999
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