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Amdinocillin, tms

View entire compound with spectra: 1 NMR

Amdinocillin, tms
SpectraBase Compound ID AUY31TpOnjC
InChI InChI=1S/C18H31N3O3SSi/c1-18(2)14(17(23)24-26(3,4)5)21-15(22)13(16(21)25-18)19-12-20-10-8-6-7-9-11-20/h12-14,16H,6-11H2,1-5H3/b19-12+/t13-,14+,16-/m1/s1
InChIKey QGVWNFGBEGKWOR-NTIUIJAHSA-N
Mol Weight 397.61 g/mol
Molecular Formula C18H31N3O3SSi
Exact Mass 397.18554 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5LZYmK9Meq
Name Amdinocillin, tms
Comments Computed using HOSE algorithm
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Exact Mass 397.185539576 u
Formula C18H31N3O3SSi
InChI InChI=1S/C18H31N3O3SSi/c1-18(2)14(17(23)24-26(3,4)5)21-15(22)13(16(21)25-18)19-12-20-10-8-6-7-9-11-20/h12-14,16H,6-11H2,1-5H3/b19-12+/t13-,14+,16-/m1/s1
InChIKey QGVWNFGBEGKWOR-NTIUIJAHSA-N
Molecular Weight 397.609 g/mol
SMILES C(O[Si](C)(C)C)(=O)[C@@]1(N2[C@]([C@@](C2=O)(\N=C\N2CCCCCC2)[H])([H])SC1(C)C)[H]