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7-(Phenyl-acetamido)-desacetoxy-cephalosporanic acid, anion

View entire compound with spectra: 2 NMR

7-(Phenyl-acetamido)-desacetoxy-cephalosporanic acid, anion
SpectraBase Compound ID 38usWErmoUT
InChI InChI=1S/C16H16N2O4S/c1-9-8-23-15-12(14(20)18(15)13(9)16(21)22)17-11(19)7-10-5-3-2-4-6-10/h2-6,12,15H,7-8H2,1H3,(H,17,19)(H,21,22)/p-1
InChIKey CIPQGGYPCPIDBB-UHFFFAOYSA-M
Mol Weight 331.37 g/mol
Molecular Formula C16H15N2O4S
Exact Mass 331.075253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FYQy64qIS3j
Name 7-(Phenyl-acetamido)-desacetoxy-cephalosporanic acid, anion
CAS Registry Number 27255-72-7
Comments sodium salt
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Formula C16H15N2O4S
InChI InChI=1S/C16H16N2O4S/c1-9-8-23-15-12(14(20)18(15)13(9)16(21)22)17-11(19)7-10-5-3-2-4-6-10/h2-6,12,15H,7-8H2,1H3,(H,17,19)(H,21,22)/p-1
InChIKey CIPQGGYPCPIDBB-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