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(.alpha.-Amino-benzyl)-penicillin anion

View entire compound with spectra: 2 NMR

(.alpha.-Amino-benzyl)-penicillin anion
SpectraBase Compound ID AX6GBIv3vsA
InChI InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/p-1
InChIKey AVKUERGKIZMTKX-UHFFFAOYSA-M
Mol Weight 348.4 g/mol
Molecular Formula C16H18N3O4S
Exact Mass 348.101802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EcwPUPYjwJL
Name (.alpha.-Amino-benzyl)-penicillin anion
Comments sodium salt
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Formula C16H18N3O4S
InChI InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/p-1
InChIKey AVKUERGKIZMTKX-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