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2-phenylhydracrylic acid, 6 beta, 7 beta-epoxy-1alpha H, 5 alpha H-tropan-3 alpha-yl ester, hydrochloride

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2-phenylhydracrylic acid, 6 beta, 7 beta-epoxy-1alpha H, 5 alpha H-tropan-3 alpha-yl ester, hydrochloride
SpectraBase Compound ID 50yDP8ZsuAf
InChI InChI=1S/C17H21NO4.ClH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11-,12-,13-,14+,15-,16+;/m1./s1
InChIKey KXPXJGYSEPEXMF-MOUKNHLCSA-N
Mol Weight 339.82 g/mol
Molecular Formula C17H22ClNO4
Exact Mass 339.123736 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MR8631uKSg
Name SCOPOLAMINE-HCL-ANHYDRATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22ClNO4
InChI InChI=1S/C17H21NO4.ClH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11-,12-,13-,14+,15-,16+;/m1./s1
InChIKey KXPXJGYSEPEXMF-MOUKNHLCSA-N
Literature Reference Author R.GLASER,D.SHIFTAN
Literature Reference Citation J.ORG.CHEM.,64,9217(1999)
Literature Reference DOI 10.1021/jo9912956
Molecular Weight 339.819 g/mol
Sample ID 46086
Solvent SOLID-STATE