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Alanylglycine, tms
SpectraBase Compound ID JI28AOp5UI8
InChI InChI=1S/C8H18N2O3Si/c1-6(9)8(12)10-5-7(11)13-14(2,3)4/h6H,5,9H2,1-4H3,(H,10,12)/t6-/m0/s1
InChIKey OIKROLCDGDKWOB-LURJTMIESA-N
Mol Weight 218.33 g/mol
Molecular Formula C8H18N2O3Si
Exact Mass 218.108669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6UDNx2JrHc9
Name Alanylglycine, tms
Comments Computed using HOSE algorithm
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Exact Mass 218.108668980 u
Formula C8H18N2O3Si
InChI InChI=1S/C8H18N2O3Si/c1-6(9)8(12)10-5-7(11)13-14(2,3)4/h6H,5,9H2,1-4H3,(H,10,12)/t6-/m0/s1
InChIKey OIKROLCDGDKWOB-LURJTMIESA-N
Molecular Weight 218.328 g/mol
SMILES C(NCC(=O)O[Si](C)(C)C)(=O)[C@@](N)(C)[H]