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6-Ammonio-penicillanic acid, cation
SpectraBase Compound ID CqeBqlDh3ol
InChI InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/p+1
InChIKey NGHVIOIJCVXTGV-UHFFFAOYSA-O
Mol Weight 217.26 g/mol
Molecular Formula C8H13N2O3S
Exact Mass 217.064688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bi6Okpa7v9U
Name 6-Ammonio-penicillanic acid, cation
CAS Registry Number 551-16-6
Comments CD3OD/TFA AS SOLVENT, C6 AX, STRUCTURE IS CHANGED TO SALT (TFA ADDED) (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H13N2O3S
InChI InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/p+1
InChIKey NGHVIOIJCVXTGV-UHFFFAOYSA-O
Instrument Name Jeol FX-90
Literature Reference S.K. Branch, A.F. Casy, A. Lipczynski, Magn. Res. Chem. 24, 465 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Mixture