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(2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

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(2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SpectraBase Compound ID 3AGi6nSiUyR
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)/t3-,4+,6-/m1/s1
InChIKey NGHVIOIJCVXTGV-ALEPSDHESA-N
Mol Weight 216.25 g/mol
Molecular Formula C8H12N2O3S
Exact Mass 216.056863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 862QZWIl14T
Name 6-AMINOPENICILLINSAEURE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12N2O3S
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)/t3-,4+,6-/m1/s1
InChIKey NGHVIOIJCVXTGV-ALEPSDHESA-N
Literature Reference Author S.K.BRANCH,A.F.CASY,A.LIPCZYNSKI,E.M.A.OMINDE
Literature Reference Citation MAGN.RES.CHEM.,24,465(1986)
Literature Reference DOI 10.1002/mrc.1260240602
Molecular Weight 216.255 g/mol
Solvent CD3OD:CF3COOH
Source File Reference UNIW22337