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(5R,6R)-Benzyl-penicilloic acid, dianion

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(5R,6R)-Benzyl-penicilloic acid, dianion
SpectraBase Compound ID GfbCNJJR9Xo
InChI InChI=1S/C16H20N2O5S/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)/p-2
InChIKey HCYWNSXLUZRKJX-UHFFFAOYSA-L
Mol Weight 350.39 g/mol
Molecular Formula C16H18N2O5S
Exact Mass 350.093643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5QK8GqfK8qq
Name (5R,6R)-Benzyl-penicilloic acid, dianion
Comments DISODIUM SALT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H18N2O5S
InChI InChI=1S/C16H20N2O5S/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)/p-2
InChIKey HCYWNSXLUZRKJX-UHFFFAOYSA-L
Instrument Name Jeol FX-90
Literature Reference S.K. Branch, A.F. Casy, A. Lipczynski, Magn. Res. Chem. 24, 465 (1986).
NMR Standard TMS Ext.
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O