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4-AMINO-5-CHLORO-2-METHOXY-N-[(2S,4R)-1-ETHYL-2-HYDROXYMETHYL-4-PYRROLIDINYL]-BENZAMIDE-HYDRATE
SpectraBase Compound ID KbENJMxDFnT
InChI InChI=1S/C15H22ClN3O3.H2O/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);1H2/t9-,10+;/m0./s1
InChIKey AWWSJPIATXQULH-BAUSSPIASA-N
Mol Weight 345.83 g/mol
Molecular Formula C15H24ClN3O4
Exact Mass 345.145534 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9BKXIa1Kk2H
Name 4-AMINO-5-CHLORO-2-METHOXY-N-[(2S,4R)-1-ETHYL-2-HYDROXYMETHYL-4-PYRROLIDINYL]-BENZAMIDE-HYDRATE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H24ClN3O4
InChI InChI=1S/C15H22ClN3O3.H2O/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);1H2/t9-,10+;/m0./s1
InChIKey AWWSJPIATXQULH-BAUSSPIASA-N
Literature Reference Author T.YANAGI,A.KITAJIMA,K.ANZAI,K.KODAMA,J.I.MIZOGUCHI,H.FUJIWAR A,H.SAKIYAMA,O.KAMOD
Literature Reference Citation CHEM.PHARM.BULL.,47,1650(1999)
Literature Reference DOI 10.1248/cpb.47.1650
Molecular Weight 345.826 g/mol
Solvent CDCl3
Source File Reference UWLU8440