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VINYLCEPHALOSPORIN-SULPHOXIDE;BENZHYDRYL-7-PHENYLACETAMIDO-3-VINYL-3-CEPHEM-4-CARBOXYLATE-1-S-(BETA)-OXIDE
SpectraBase Compound ID 4JzoQKzmXNK
InChI InChI=1S/C30H26N2O5S/c1-2-21-19-38(36)29-25(31-24(33)18-20-12-6-3-7-13-20)28(34)32(29)26(21)30(35)37-27(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h2-17,25,27,29H,1,18-19H2,(H,31,33)/t25-,29-,38?/m1/s1
InChIKey HABFIIVFVGVGMO-IZBBCVPOSA-N
Mol Weight 526.61 g/mol
Molecular Formula C30H26N2O5S
Exact Mass 526.156243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4pHQ7vXHYJH
Name VINYLCEPHALOSPORIN-SULPHOXIDE;BENZHYDRYL-7-PHENYLACETAMIDO-3-VINYL-3-CEPHEM-4-CARBOXYLATE-1-S-(BETA)-OXIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H26N2O5S
InChI InChI=1S/C30H26N2O5S/c1-2-21-19-38(36)29-25(31-24(33)18-20-12-6-3-7-13-20)28(34)32(29)26(21)30(35)37-27(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h2-17,25,27,29H,1,18-19H2,(H,31,33)/t25-,29-,38?/m1/s1
InChIKey HABFIIVFVGVGMO-IZBBCVPOSA-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 526.607 g/mol
Solvent DMSO-D6
Source File Reference UWMZ1138