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3S,5R,6R-Mecillinam cation

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3S,5R,6R-Mecillinam cation
SpectraBase Compound ID IAOz3dnsUk5
InChI InChI=1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/p+1/b16-9+
InChIKey BWWVAEOLVKTZFQ-CXUHLZMHSA-O
Mol Weight 326.44 g/mol
Molecular Formula C15H24N3O3S
Exact Mass 326.153838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kl1QxjBQ5V7
Name 3S,5R,6S-Mecillinam cation
Comments FROM BALTZER, HYDROCHLORIDE, C6 AX
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H24N3O3S
InChI InChI=1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/p+1/b16-9+
InChIKey BWWVAEOLVKTZFQ-CXUHLZMHSA-O
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 DMSO-D6