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3-ALPHA-CHLORO-3-BETA-CHLOROMETHYL-1-OXACEPHAM-BENZHYDRYLESTER
SpectraBase Compound ID 8mIIvt0uQzp
InChI InChI=1S/C28H24Cl2N2O5/c29-16-28(30)17-36-26-21(31-24(33)20-14-8-3-9-15-20)25(34)32(26)23(28)27(35)37-22(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21-23,26H,16-17H2,(H,31,33)
InChIKey XYXGTAAAVHDSNH-UHFFFAOYSA-N
Mol Weight 539.42 g/mol
Molecular Formula C28H24Cl2N2O5
Exact Mass 538.106227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0TiX8YaAok
Name 3-ALPHA-CHLORO-3-BETA-CHLOROMETHYL-1-OXACEPHAM-BENZHYDRYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H24Cl2N2O5
InChI InChI=1S/C28H24Cl2N2O5/c29-16-28(30)17-36-26-21(31-24(33)20-14-8-3-9-15-20)25(34)32(26)23(28)27(35)37-22(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21-23,26H,16-17H2,(H,31,33)
InChIKey XYXGTAAAVHDSNH-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 539.415 g/mol
Solvent DMSO-D6
Source File Reference UWED5073