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Phenethicillin K anion

View entire compound with spectra: 1 NMR

Phenethicillin K anion
SpectraBase Compound ID 1Dos1V7FZu5
InChI InChI=1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)/p-1
InChIKey NONJJLVGHLVQQM-UHFFFAOYSA-M
Mol Weight 363.41 g/mol
Molecular Formula C17H19N2O5S
Exact Mass 363.101468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID kjJle1R5Uf
Name Phenethicillin K anion
Comments FROM WILSON, K SALT, C6 AX ,ISOMER HAS SIGNALS AT 73.5, 57.7, 31.5, 156.9, 74.4, 18.7 PPM
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Formula C17H19N2O5S
InChI InChI=1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)/p-1
InChIKey NONJJLVGHLVQQM-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