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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CCvi7vnOFNw
Name 1alphaH,5alphaH-TROPAN-3alpha-OL, (-)-TROPATE (ESTER), HYDROBROMIDE
Source of Sample E. Merck AG, Darmstadt, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO3 HBr
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
Melting Point 149-150C
Molecular Weight 370.29
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms TROPAN-3A-OL, 1AH,5AH-, TROPATE (ESTER), HYDROBROMIDE, /minus/ HYOSCYAMINE, HYDROBROMIDE