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7-BETA-(4-DIMETHYLAMINOCINNAMOYL)-AMINO-3-ACETOXYMETHYL-CEPHALOSPORINE

View entire compound with spectra: 1 NMR

7-BETA-(4-DIMETHYLAMINOCINNAMOYL)-AMINO-3-ACETOXYMETHYL-CEPHALOSPORINE
SpectraBase Compound ID 593I3BsaXjx
InChI InChI=1S/C21H23N3O6S/c1-12(25)30-10-14-11-31-20-17(19(27)24(20)18(14)21(28)29)22-16(26)9-6-13-4-7-15(8-5-13)23(2)3/h4-9,17,20H,10-11H2,1-3H3,(H,22,26)(H,28,29)/b9-6+/t17-,20?/m1/s1
InChIKey VARKGYPIBQOUIS-RYBHMURSSA-N
Mol Weight 445.49 g/mol
Molecular Formula C21H23N3O6S
Exact Mass 445.130757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMdtPmHniKh
Name 7-BETA-(4-DIMETHYLAMINOCINNAMOYL)-AMINO-3-ACETOXYMETHYL-CEPHALOSPORINE
Compound Number 1T
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23N3O6S
InChI InChI=1S/C21H23N3O6S/c1-12(25)30-10-14-11-31-20-17(19(27)24(20)18(14)21(28)29)22-16(26)9-6-13-4-7-15(8-5-13)23(2)3/h4-9,17,20H,10-11H2,1-3H3,(H,22,26)(H,28,29)/b9-6+/t17-,20?/m1/s1
InChIKey VARKGYPIBQOUIS-RYBHMURSSA-N
Literature Reference Author M.A.LOPEZ,Z.RODRIGUEZ,M.GONZALEZ,B.TOLON,R.AVILA,T.MAMPOSO,H .VELEZ,A.FINI
Literature Reference Citation MAGN.RES.CHEM.,43,261(2005)
Literature Reference DOI 10.1002/mrc.1525
Molecular Weight 445.490 g/mol
Solvent DMSO-D6
Source File Reference UWSI27032