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(3-S)-4-[((3-amino-3-carboxy)-propyl)-(hydroxy)-phosphinyl]-butanoic_acid;LSP1-2042
SpectraBase Compound ID Igwq4TgmcwX
InChI InChI=1S/C8H16NO6P/c9-6(8(12)13)3-5-16(14,15)4-1-2-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
InChIKey UWTAKVXESRYQRN-LURJTMIESA-N
Mol Weight 253.19 g/mol
Molecular Formula C8H16NO6P
Exact Mass 253.071524 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2nH0TZMVt4G
Name (3-S)-4-[((3-amino-3-carboxy)-propyl)-(hydroxy)-phosphinyl]-butanoic_acid;LSP1-2042
Comments Computed using HOSE algorithm
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Exact Mass 253.071524231 u
Formula C8H16NO6P
InChI InChI=1S/C8H16NO6P/c9-6(8(12)13)3-5-16(14,15)4-1-2-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
InChIKey UWTAKVXESRYQRN-LURJTMIESA-N
Molecular Weight 253.191 g/mol
Nominal Mass 253 u
SMILES C(O)(=O)[C@@](N)(CCP(=O)(O)CCCC(=O)O)[H]