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Bacampicillin cation
SpectraBase Compound ID 8opAY2RAppe
InChI InChI=1S/C21H27N3O6S/c1-5-13(25)29-11(2)30-20(28)16-21(3,4)31-19-15(18(27)24(16)19)23-17(26)14(22)12-9-7-6-8-10-12/h6-11,14-16,19H,5,22H2,1-4H3,(H,23,26)/p+1
InChIKey BLMVRBZFTHVOGC-UHFFFAOYSA-O
Mol Weight 450.53 g/mol
Molecular Formula C21H28N3O6S
Exact Mass 450.169882 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXMMyXUeU98
Name Bacampicillin cation
Comments HYDROCHLORIDE, C6 AX, ABSORPTIONS FROM ISOMER AT 65.2, 173.1, 167.0 AND 13.9 PPM
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Formula C21H28N3O6S
InChI InChI=1S/C21H27N3O6S/c1-5-13(25)29-11(2)30-20(28)16-21(3,4)31-19-15(18(27)24(16)19)23-17(26)14(22)12-9-7-6-8-10-12/h6-11,14-16,19H,5,22H2,1-4H3,(H,23,26)/p+1
InChIKey BLMVRBZFTHVOGC-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 CD3OD