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Benzyl-penillic acid, dimethyl ester

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Benzyl-penillic acid, dimethyl ester
SpectraBase Compound ID 6ajedE0jPwK
InChI InChI=1S/C18H22N2O4S/c1-18(2)14(17(22)24-4)20-12(10-11-8-6-5-7-9-11)19-13(15(20)25-18)16(21)23-3/h5-9,13-15H,10H2,1-4H3
InChIKey UUJWAJIADNZKFA-UHFFFAOYSA-N
Mol Weight 362.44 g/mol
Molecular Formula C18H22N2O4S
Exact Mass 362.130028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWIWxy9EFK8
Name Benzyl-penillic acid, dimethyl ester
CAS Registry Number 27147-93-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H22N2O4S
InChI InChI=1S/C18H22N2O4S/c1-18(2)14(17(22)24-4)20-12(10-11-8-6-5-7-9-11)19-13(15(20)25-18)16(21)23-3/h5-9,13-15H,10H2,1-4H3
InChIKey UUJWAJIADNZKFA-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference S.K. Branch, A.F. Casy, A. Lipczynski, Magn. Res. Chem. 24, 465 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3