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AMPICILLIN-[4-(2-DIISOPROPYLAMINOETHOXY)-BENZYLIDENE]-SUCCINIMIDOMETHYLESTER-HYDROCHLORIDE

View entire compound with spectra: 1 NMR

AMPICILLIN-[4-(2-DIISOPROPYLAMINOETHOXY)-BENZYLIDENE]-SUCCINIMIDOMETHYLESTER-HYDROCHLORIDE
SpectraBase Compound ID Exz4KbRYWDg
InChI InChI=1S/C36H45N5O7S.2ClH/c1-21(2)39(22(3)4)16-17-47-26-14-12-23(13-15-26)18-25-19-27(42)40(32(25)44)20-48-35(46)30-36(5,6)49-34-29(33(45)41(30)34)38-31(43)28(37)24-10-8-7-9-11-24;;/h7-15,18,21-22,28-30,34H,16-17,19-20,37H2,1-6H3,(H,38,43);2*1H/b25-18+;;/t28?,29-,30+,34?;;/m1../s1
InChIKey YEUOYSWNQSOOII-IHMNPNANSA-N
Mol Weight 764.77 g/mol
Molecular Formula C36H47Cl2N5O7S
Exact Mass 763.257325 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMUcXSCClLt
Name AMPICILLIN-[4-(2-DIISOPROPYLAMINOETHOXY)-BENZYLIDENE]-SUCCINIMIDOMETHYLESTER-HYDROCHLORIDE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H47Cl2N5O7S
InChI InChI=1S/C36H45N5O7S.2ClH/c1-21(2)39(22(3)4)16-17-47-26-14-12-23(13-15-26)18-25-19-27(42)40(32(25)44)20-48-35(46)30-36(5,6)49-34-29(33(45)41(30)34)38-31(43)28(37)24-10-8-7-9-11-24;;/h7-15,18,21-22,28-30,34H,16-17,19-20,37H2,1-6H3,(H,38,43);2*1H/b25-18+;;/t28?,29-,30+,34?;;/m1../s1
InChIKey YEUOYSWNQSOOII-IHMNPNANSA-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 764.764 g/mol
Solvent CD3OD
Source File Reference UWLU21784