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3-ALPHA-CHLOROMETHYL-3-BETA-HYDROXY-1-OXACEPHAM-BENZHYDRYLESTER
SpectraBase Compound ID 4vYkZ867wdx
InChI InChI=1S/C28H25ClN2O6/c29-16-28(35)17-36-26-21(30-24(32)20-14-8-3-9-15-20)25(33)31(26)23(28)27(34)37-22(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21-23,26,35H,16-17H2,(H,30,32)
InChIKey PQQGETUDDLFQPG-UHFFFAOYSA-N
Mol Weight 520.97 g/mol
Molecular Formula C28H25ClN2O6
Exact Mass 520.140114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 579U0kaMhJL
Name 3-BETA-CHLOROMETHYL-3-ALPHA-HYDROXY-1-OXACEPHAM-BENZHYDRYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H25ClN2O6
InChI InChI=1S/C28H25ClN2O6/c29-16-28(35)17-36-26-21(30-24(32)20-14-8-3-9-15-20)25(33)31(26)23(28)27(34)37-22(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21-23,26,35H,16-17H2,(H,30,32)
InChIKey PQQGETUDDLFQPG-UHFFFAOYSA-N
Literature Reference Author T.AOKI,W.NAGATA,Y.YOSHIMURA,J.NISHIKAWA,K.TORI
Literature Reference Citation HETEROCYCLES,25,321(1987)
Literature Reference DOI 10.3987/S-1987-01-0321
Molecular Weight 520.969 g/mol
Solvent DMSO-D6
Source File Reference UWED5069