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erythro-1-{1-[2-(1,4-benzodioxan-2-yl)-2-hydroxyethyl]-4-piperidyl}-3-phenyl-2-thiourea, monohydrochloride
SpectraBase Compound ID ByrGJ4DzLb8
InChI InChI=1S/C22H27N3O3S.ClH/c26-18(21-15-27-19-8-4-5-9-20(19)28-21)14-25-12-10-17(11-13-25)24-22(29)23-16-6-2-1-3-7-16;/h1-9,17-18,21,26H,10-15H2,(H2,23,24,29);1H/t18-,21+;/s2
InChIKey WOWANNSGDRRNBP-JJIPZAHESA-N
Mol Weight 450.0 g/mol
Molecular Formula C22H28ClN3O3S
Exact Mass 449.153991 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2niW0VgltUP
Name erythro-1-{1-[2-(1,4-benzodioxan-2-yl)-2-hydroxyethyl]-4-piperidyl}-3-phenyl-2-thiourea, monohydrochloride
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28ClN3O3S
InChI InChI=1S/C22H27N3O3S.ClH/c26-18(21-15-27-19-8-4-5-9-20(19)28-21)14-25-12-10-17(11-13-25)24-22(29)23-16-6-2-1-3-7-16;/h1-9,17-18,21,26H,10-15H2,(H2,23,24,29);1H/t18-,21+;/s2
InChIKey WOWANNSGDRRNBP-JJIPZAHESA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 36656M
Solvent Polysol