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7b-Phthalimido-3a-methyl-3b-hydroxy-cephamic 4-acid, 4-methoxy-benzyl ester
SpectraBase Compound ID 7KHVZiy88A7
InChI InChI=1S/C24H22N2O7S/c1-24(31)12-34-22-17(25-19(27)15-5-3-4-6-16(15)20(25)28)21(29)26(22)18(24)23(30)33-11-13-7-9-14(32-2)10-8-13/h3-10,17-18,22,31H,11-12H2,1-2H3
InChIKey BDKKSWAYEUUXJP-UHFFFAOYSA-N
Mol Weight 482.51 g/mol
Molecular Formula C24H22N2O7S
Exact Mass 482.114772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 85PbN018hhD
Name 7b-Phthalimido-3a-methyl-3b-hydroxy-cephamic 4-acid, 4-methoxy-benzyl ester
CAS Registry Number 55450-61-8
Comments SHIFT OF 142.0 PPM REPORTED FOR C18 MUST BE IN ERROR|C7 AND C8 SHIFTVALUE IS CHANGED FROM 161.50 TO 167.50 PPM (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H22N2O7S
InChI InChI=1S/C24H22N2O7S/c1-24(31)12-34-22-17(25-19(27)15-5-3-4-6-16(15)20(25)28)21(29)26(22)18(24)23(30)33-11-13-7-9-14(32-2)10-8-13/h3-10,17-18,22,31H,11-12H2,1-2H3
InChIKey BDKKSWAYEUUXJP-UHFFFAOYSA-N
Instrument Name Jeol PS-100
Literature Reference S. Kukolja, N.D. Jones, D.E. Dorman, J. Org. Chem. 40, 2388 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3