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Phenoxymethyl-penicillic acid, 4-nitro-benzyl ester 1,1-dioxide
SpectraBase Compound ID ILcnCgr710G
InChI InChI=1S/C23H23N3O9S/c1-23(2)19(22(29)35-12-14-8-10-15(11-9-14)26(30)31)25-20(28)18(21(25)36(23,32)33)24-17(27)13-34-16-6-4-3-5-7-16/h3-11,18-19,21H,12-13H2,1-2H3,(H,24,27)
InChIKey NOPWJIBMCZYWRO-UHFFFAOYSA-N
Mol Weight 517.51 g/mol
Molecular Formula C23H23N3O9S
Exact Mass 517.1155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KGM5jV6pfRq
Name Phenoxymethyl-penicillic acid, 4-nitro-benzyl ester 1,1-dioxide
Comments CRYSTALS SOLVATED WITH C6H6, C22 IS BETA
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Formula C23H23N3O9S
InChI InChI=1S/C23H23N3O9S/c1-23(2)19(22(29)35-12-14-8-10-15(11-9-14)26(30)31)25-20(28)18(21(25)36(23,32)33)24-17(27)13-34-16-6-4-3-5-7-16/h3-11,18-19,21H,12-13H2,1-2H3,(H,24,27)
InChIKey NOPWJIBMCZYWRO-UHFFFAOYSA-N
Instrument Name Jeol FX-200
Literature Reference M. Davis, Wen-Yang Wu, J. Chem. Soc. Perkin I 183 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3