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(3S,4R)-3-[[(6-CHLORO-1,3-BENZODIOXOL-5-YL)-OXY]-METHYL]-4-(4-FLUORO-PHENYL)-PIPERIDINE-HYDROCHLORIDE;IMPURITY-#1
SpectraBase Compound ID Hy4mPbpe0Be
InChI InChI=1S/C19H19ClFNO3.ClH/c20-16-7-18-19(25-11-24-18)8-17(16)23-10-13-9-22-6-5-15(13)12-1-3-14(21)4-2-12;/h1-4,7-8,13,15,22H,5-6,9-11H2;1H/t13-,15-;/m0./s1
InChIKey PMZAAZNVHPRXSJ-SLHAJLBXSA-N
Mol Weight 400.28 g/mol
Molecular Formula C19H20Cl2FNO3
Exact Mass 399.080427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dq5fou0K6m0
Name (3S,4R)-3-[[(6-CHLORO-1,3-BENZODIOXOL-5-YL)-OXY]-METHYL]-4-(4-FLUORO-PHENYL)-PIPERIDINE-HYDROCHLORIDE;IMPURITY-#1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20Cl2FNO3
InChI InChI=1S/C19H19ClFNO3.ClH/c20-16-7-18-19(25-11-24-18)8-17(16)23-10-13-9-22-6-5-15(13)12-1-3-14(21)4-2-12;/h1-4,7-8,13,15,22H,5-6,9-11H2;1H/t13-,15-;/m0./s1
InChIKey PMZAAZNVHPRXSJ-SLHAJLBXSA-N
Literature Reference Author N.MUNIGELA,J.M.BABU,A.YERRAMILLI,N.K.KOLLA,V.KRISHNAMURTHY,V .V.MATHAD
Literature Reference Citation SCI.PHARM.,76,653(2008)
Literature Reference DOI 10.3797/scipharm.0808-08
Molecular Weight 400.277 g/mol
Sample ID 2939
Solvent CDCl3