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7-(2-[2]Thienyl-acetamido)-cephalosporanic acid, anion

View entire compound with spectra: 9 NMR

7-(2-[2]Thienyl-acetamido)-cephalosporanic acid, anion
SpectraBase Compound ID EVJP2ayD1zi
InChI InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/p-1
InChIKey XIURVHNZVLADCM-UHFFFAOYSA-M
Mol Weight 395.42 g/mol
Molecular Formula C16H15N2O6S2
Exact Mass 395.037154 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ZPS7zQhjo6
Name 7-(2-[2]Thienyl-acetamido)-cephalosporanic acid, anion
Comments sodium salt
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Formula C16H15N2O6S2
InChI InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/p-1
InChIKey XIURVHNZVLADCM-UHFFFAOYSA-M
Instrument Name Varian XL-100
Literature Reference J.M. Dereppe, A. Schanck, B. Coene, Org. Magn. Resonance 11, 638 (1978).
NMR Standard TMS-PRSO3 Na
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O