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Penicillin G anion

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Penicillin G anion
SpectraBase Compound ID 5EMrk1NWkPc
InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/p-1
InChIKey JGSARLDLIJGVTE-UHFFFAOYSA-M
Mol Weight 333.38 g/mol
Molecular Formula C16H17N2O4S
Exact Mass 333.090903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JM8nAvHMMbL
Name Penicillin G anion
CAS Registry Number 113-98-4
Comments SODIUM SALT SHIFT OF C8 CHANGED FROM 48.2 PPM (PRINTING ERROR )
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H17N2O4S
InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/p-1
InChIKey JGSARLDLIJGVTE-UHFFFAOYSA-M
Instrument Name Varian XL-100
Literature Reference R. Mondelli, P. Ventura, J. Chem. Soc. Perkin II 1749 (1977).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O