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AMPICILLIN-[4-(3-DIMETHYLAMINOPROPOXY)-BENZYLIDENE]-SUCCINIMIDOMETHYLESTER-HYDROCHLORIDE

View entire compound with spectra: 1 NMR

AMPICILLIN-[4-(3-DIMETHYLAMINOPROPOXY)-BENZYLIDENE]-SUCCINIMIDOMETHYLESTER-HYDROCHLORIDE
SpectraBase Compound ID FIOJLH3OcXK
InChI InChI=1S/C33H39N5O7S.2ClH/c1-33(2)27(38-30(42)26(31(38)46-33)35-28(40)25(34)21-9-6-5-7-10-21)32(43)45-19-37-24(39)18-22(29(37)41)17-20-11-13-23(14-12-20)44-16-8-15-36(3)4;;/h5-7,9-14,17,25-27,31H,8,15-16,18-19,34H2,1-4H3,(H,35,40);2*1H/b22-17+;;/t25-,26+,27-,31?;;/m0../s1
InChIKey HUJFTPVABUEBTL-KPEBYRKLSA-N
Mol Weight 722.69 g/mol
Molecular Formula C33H41Cl2N5O7S
Exact Mass 721.210375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRcM8labey4
Name AMPICILLIN-[4-(3-DIMETHYLAMINOPROPOXY)-BENZYLIDENE]-SUCCINIMIDOMETHYLESTER-HYDROCHLORIDE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H41Cl2N5O7S
InChI InChI=1S/C33H39N5O7S.2ClH/c1-33(2)27(38-30(42)26(31(38)46-33)35-28(40)25(34)21-9-6-5-7-10-21)32(43)45-19-37-24(39)18-22(29(37)41)17-20-11-13-23(14-12-20)44-16-8-15-36(3)4;;/h5-7,9-14,17,25-27,31H,8,15-16,18-19,34H2,1-4H3,(H,35,40);2*1H/b22-17+;;/t25-,26+,27-,31?;;/m0../s1
InChIKey HUJFTPVABUEBTL-KPEBYRKLSA-N
Literature Reference Author I.PATERNOTTE,H.J.FAN,P.SCREVE,M.CLAESEN,P.M.TULKENS,E.SONVEA UX
Literature Reference Citation BIOORG.MED.CHEM.,9,493(2001)
Literature Reference DOI 10.1016/S0968-0896(00)00255-8
Molecular Weight 722.684 g/mol
Solvent CD3OD
Source File Reference UWLU21788