For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-AMINO-5-CHLORO-2-METHOXY-N-[(2R,4S)-1-ETHYL-2-HYDROXYMETHYL-4-PYRROLIDINYL]-BENZAMIDE-HYDRATE
SpectraBase Compound ID KAjQvBLSQ2C
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+;/m1./s1
InChIKey AWWSJPIATXQULH-UXQCFNEQSA-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JTAl5gqe5AN
Name 4-AMINO-5-CHLORO-2-METHOXY-N-[(2R,4S)-1-ETHYL-2-HYDROXYMETHYL-4-PYRROLIDINYL]-BENZAMIDE-HYDRATE
Compound Number 26
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+;/m1./s1
InChIKey AWWSJPIATXQULH-UXQCFNEQSA-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 UWLU8441