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Cloxacillin anion

View entire compound with spectra: 1 NMR

Cloxacillin anion
SpectraBase Compound ID 2f1qVFoE0E1
InChI InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/p-1
InChIKey LQOLIRLGBULYKD-UHFFFAOYSA-M
Mol Weight 434.87 g/mol
Molecular Formula C19H17ClN3O5S
Exact Mass 434.057745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8APZabemQ7r
Name Cloxacillin anion
Comments Na salt, C6 AX
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Formula C19H17ClN3O5S
InChI InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/p-1
InChIKey LQOLIRLGBULYKD-UHFFFAOYSA-M
Literature Reference S.K. Branch, A.F. Casy, A. Lipczynski, Magn. Res. Chem. 24, 465 (1986).
NMR Standard CH3OH
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O