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3-ALPHA-CHLOROMETHYL-3-BETA-METHYLTHIO-1-OXACEPHAM-BENZHYDRYLESTER
SpectraBase Compound ID AlZcRtrE8US
InChI InChI=1S/C29H27ClN2O5S/c1-38-29(17-30)18-36-27-22(31-25(33)21-15-9-4-10-16-21)26(34)32(27)24(29)28(35)37-23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,22-24,27H,17-18H2,1H3,(H,31,33)
InChIKey XNTSMFRKLBASHC-UHFFFAOYSA-N
Mol Weight 551.06 g/mol
Molecular Formula C29H27ClN2O5S
Exact Mass 550.132921 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EUCIr7mdZvm
Name 3-ALPHA-CHLOROMETHYL-3-BETA-METHYLTHIO-1-OXACEPHAM-BENZHYDRYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H27ClN2O5S
InChI InChI=1S/C29H27ClN2O5S/c1-38-29(17-30)18-36-27-22(31-25(33)21-15-9-4-10-16-21)26(34)32(27)24(29)28(35)37-23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,22-24,27H,17-18H2,1H3,(H,31,33)
InChIKey XNTSMFRKLBASHC-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 551.057 g/mol
Solvent DMSO-D6
Source File Reference UWED5075