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TKS159;4-AMINO-5-CHLORO-2-METHOXY-N-[(2S,4S)-1-ETHYL-2-HYDROXYMETHYL-4-PYRROLIDINYL]-BENZAMIDE;ALPHA-FORM
SpectraBase Compound ID KKaUIjNRhl8
InChI InChI=1S/C15H22ClN3O3/c1-3-19-7-9(4-10(19)8-20)18-15(21)11-5-12(16)13(17)6-14(11)22-2/h5-6,9-10,20H,3-4,7-8,17H2,1-2H3,(H,18,21)/t9-,10-/m1/s1
InChIKey DXCDZNHWSCWICI-NXEZZACHSA-N
Mol Weight 327.81 g/mol
Molecular Formula C15H22ClN3O3
Exact Mass 327.134969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8LMyncSrRIl
Name TKS159;4-AMINO-5-CHLORO-2-METHOXY-N-[(2S,4S)-1-ETHYL-2-HYDROXYMETHYL-4-PYRROLIDINYL]-BENZAMIDE;BETA-FORM
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H22ClN3O3
InChI InChI=1S/C15H22ClN3O3/c1-3-19-7-9(4-10(19)8-20)18-15(21)11-5-12(16)13(17)6-14(11)22-2/h5-6,9-10,20H,3-4,7-8,17H2,1-2H3,(H,18,21)/t9-,10-/m1/s1
InChIKey DXCDZNHWSCWICI-NXEZZACHSA-N
Literature Reference Author T.YANAGI,J.I.MIZOGUCHI,T.ADACHI,S.SATO,K.KODAMA,K.ANZAI,Y.TA KAGISHI,C.KAMEI,M.FU
Literature Reference Citation CHEM.PHARM.BULL.,48,366(2000)
Literature Reference DOI 10.1248/cpb.48.366
Molecular Weight 327.811 g/mol
Solvent CDCl3
Source File Reference UWLU4970