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PYRAZOLINOCEPHEM-SULPHOXIDE;BENZHYDRYL-7-PHENYLACETAMIDO-3-(3'-PYRAZOLYL)-3-CEPHEM-4-CARBOXYLATE-1-S-(BETA)-OXIDE
SpectraBase Compound ID Hsj1ySrvhHY
InChI InChI=1S/C31H28N4O5S/c36-25(18-20-10-4-1-5-11-20)33-26-29(37)35-27(23(19-41(39)30(26)35)24-16-17-32-34-24)31(38)40-28(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,24,26,28,30H,16-19H2,(H,33,36)/t24?,26-,30-,41?/m1/s1
InChIKey CQURREDOPNFKFZ-NZAKFVQBSA-N
Mol Weight 568.65 g/mol
Molecular Formula C31H28N4O5S
Exact Mass 568.178041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EV9lt9ryVf6
Name PYRAZOLINOCEPHEM-SULPHOXIDE;BENZHYDRYL-7-PHENYLACETAMIDO-3-(3'-PYRAZOLYL)-3-CEPHEM-4-CARBOXYLATE-1-S-(BETA)-OXIDE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H28N4O5S
InChI InChI=1S/C31H28N4O5S/c36-25(18-20-10-4-1-5-11-20)33-26-29(37)35-27(23(19-41(39)30(26)35)24-16-17-32-34-24)31(38)40-28(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,24,26,28,30H,16-19H2,(H,33,36)/t24?,26-,30-,41?/m1/s1
InChIKey CQURREDOPNFKFZ-NZAKFVQBSA-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 568.647 g/mol
Solvent CDCl3
Source File Reference UWMZ1140