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(3S,4R)-1-Benzyl-4-(4-fluorophenyl)-3-{[3,4-(methylenedioxy)phenoxy]methyl}piperidine hydrochloride
SpectraBase Compound ID 5Oa5BE4ZFtg
InChI InChI=1S/C26H26FNO3.ClH/c27-22-8-6-20(7-9-22)24-12-13-28(15-19-4-2-1-3-5-19)16-21(24)17-29-23-10-11-25-26(14-23)31-18-30-25;/h1-11,14,21,24H,12-13,15-18H2;1H/t21-,24-;/m0./s1
InChIKey WZWBEBSJAMEOMN-TUYUPMGOSA-N
Mol Weight 455.96 g/mol
Molecular Formula C26H27ClFNO3
Exact Mass 455.16635 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbG1YiElXgg
Name (3S,4R)-1-Benzyl-4-(4-fluorophenyl)-3-{[3,4-(methylenedioxy)phenoxy]methyl}piperidine hydrochloride
Alternate Name(s) (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-1-benzyl-4-(4-fluorophenyl)piperidin-1-ium chloride (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-(phenylmethyl)piperidin-1-ium chloride (3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-1-benzyl-4-(4-fluorophenyl)piperidine hydrochloride (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-(phenylmethyl)piperidin-1-ium;chloride
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Formula C26H27ClFNO3
InChI InChI=1S/C26H26FNO3.ClH/c27-22-8-6-20(7-9-22)24-12-13-28(15-19-4-2-1-3-5-19)16-21(24)17-29-23-10-11-25-26(14-23)31-18-30-25;/h1-11,14,21,24H,12-13,15-18H2;1H/t21-,24-;/m0./s1
InChIKey WZWBEBSJAMEOMN-TUYUPMGOSA-N
Molecular Weight 455.957 g/mol
SMILES Cl.[C@]1([C@@](CCN(C1)Cc1ccccc1)(c1ccc(cc1)F)[H])(COc1cc2OCOc2cc1)[H]
SPLASH splash10-000x-9440000000-e9ddb8f8c1bdd7d0c359
Source of Spectrum K1-2004-3339-9
Wiley ID 1561231