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(1'S)-BENZHYDRYL-7-PHENYLACETAMIDO-3-(2',2'-DIPHENYLCYClOPROPYL)-3-CEPHEM-4-CARBOXYLATE;CYClOPROPYLCEPHALOSPORIN;MAIN_PRODUCT

View entire compound with spectra: 2 NMR

(1'S)-BENZHYDRYL-7-PHENYLACETAMIDO-3-(2',2'-DIPHENYLCYClOPROPYL)-3-CEPHEM-4-CARBOXYLATE;CYClOPROPYLCEPHALOSPORIN;MAIN_PRODUCT
SpectraBase Compound ID H0czD0DPN5O
InChI InChI=1S/C43H36N2O4S/c46-36(26-29-16-6-1-7-17-29)44-37-40(47)45-38(42(48)49-39(30-18-8-2-9-19-30)31-20-10-3-11-21-31)34(28-50-41(37)45)35-27-43(35,32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-25,35,37,39,41H,26-28H2,(H,44,46)/t35?,37-,41-/m1/s1
InChIKey RGSZXVDZRHZZCA-SAQNIEGISA-N
Mol Weight 676.8 g/mol
Molecular Formula C43H36N2O4S
Exact Mass 676.239579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 952Ys5Y0Wi8
Name (1'S)-BENZHYDRYL-7-PHENYLACETAMIDO-3-(2',2'-DIPHENYLCYClOPROPYL)-3-CEPHEM-4-CARBOXYLATE;CYClOPROPYLCEPHALOSPORIN;MAIN_PRODUCT
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H36N2O4S
InChI InChI=1S/C43H36N2O4S/c46-36(26-29-16-6-1-7-17-29)44-37-40(47)45-38(42(48)49-39(30-18-8-2-9-19-30)31-20-10-3-11-21-31)34(28-50-41(37)45)35-27-43(35,32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-25,35,37,39,41H,26-28H2,(H,44,46)/t35?,37-,41-/m1/s1
InChIKey RGSZXVDZRHZZCA-SAQNIEGISA-N
Literature Reference Author J.PITLIK,T.E.GUNDA,I.MISKOLCZI
Literature Reference Citation J.HETCYCL.CHEM.,27,1281(1990)
Literature Reference DOI 10.1002/jhet.5570270521
Molecular Weight 676.830 g/mol
Solvent CDCl3
Source File Reference UWMZ1142