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Cephapyrine

View entire compound with spectra: 1 NMR

Cephapyrine
SpectraBase Compound ID II24iTKW5Wg
InChI InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/p-1
InChIKey UQLLWWBDSUHNEB-UHFFFAOYSA-M
Mol Weight 422.45 g/mol
Molecular Formula C17H16N3O6S2
Exact Mass 422.048053 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DABtPPGYukz
Name Cephapyrine
Comments sodium salt
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H16N3O6S2
InChI InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/p-1
InChIKey UQLLWWBDSUHNEB-UHFFFAOYSA-M
Instrument Name Varian XL-100
Literature Reference A. Schanck, B. Coene, M. Van Meerssche, Org. Magn. Resonance 12, 337 (1979).
NMR Standard TMS-PRSO3 Na
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O