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3-PYRAZOLINOCEPHEM;BENZHYDRYL-7-PHENYLACETAMIDO-3-(3'-PYRAZOLYL)]-3-CEPHEM-4-CARBOXYLATE
SpectraBase Compound ID AwrVSPrf3ow
InChI InChI=1S/C31H28N4O4S/c36-25(18-20-10-4-1-5-11-20)33-26-29(37)35-27(23(19-40-30(26)35)24-16-17-32-34-24)31(38)39-28(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-/m1/s1
InChIKey ODCLGKROQCUKSG-JVIIYPEASA-N
Mol Weight 552.65 g/mol
Molecular Formula C31H28N4O4S
Exact Mass 552.183127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3QcoBCNheOR
Name 3-PYRAZOLINOCEPHEM;BENZHYDRYL-7-PHENYLACETAMIDO-3-(3'-PYRAZOLYL)]-3-CEPHEM-4-CARBOXYLATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H28N4O4S
InChI InChI=1S/C31H28N4O4S/c36-25(18-20-10-4-1-5-11-20)33-26-29(37)35-27(23(19-40-30(26)35)24-16-17-32-34-24)31(38)39-28(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-/m1/s1
InChIKey ODCLGKROQCUKSG-JVIIYPEASA-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 552.648 g/mol
Solvent CDCl3
Source File Reference UWMZ1139