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Ez-6-(4'-oxo-but-2'-enylidene)-penicillanic acid,  benzhydryl ester
SpectraBase Compound ID 99sx2TGqvey
InChI InChI=1S/C25H23NO4S/c1-25(2)21(26-22(28)19(23(26)31-25)15-9-10-16-27)24(29)30-20(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,20-21,23H,1-2H3/b10-9+,19-15-
InChIKey RGARVTFNSDDEHR-WSQSNKJNSA-N
Mol Weight 433.52 g/mol
Molecular Formula C25H23NO4S
Exact Mass 433.134779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J4DgOnBt4Ex
Name Ez-6-(4'-oxo-but-2'-enylidene)-penicillanic acid, benzhydryl ester
Comments EXTERNAL LOCK, AR-CH PEAKS AT 127-128 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H23NO4S
InChI InChI=1S/C25H23NO4S/c1-25(2)21(26-22(28)19(23(26)31-25)15-9-10-16-27)24(29)30-20(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,20-21,23H,1-2H3/b10-9+,19-15-
InChIKey RGARVTFNSDDEHR-WSQSNKJNSA-N
Instrument Name Jeol FX-60
Literature Reference S.A. Matlin, L. Chan, B. Catherwood, J. Chem. Soc. Perkin I 89 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3