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L-3-Aminoisobutyric acid, N-(N-propyloxycarbonyl)-, N-propyl ester
SpectraBase Compound ID Dgn8O4XITlq
InChI InChI=1S/C11H21NO4/c1-4-6-15-10(13)9(3)8-12-11(14)16-7-5-2/h9H,4-8H2,1-3H3,(H,12,14)/t9-/m1/s1
InChIKey AFPIILUOBFJPHF-SECBINFHSA-N
Mol Weight 231.29 g/mol
Molecular Formula C11H21NO4
Exact Mass 231.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HbrC4jz5sVn
Name L-3-Aminoisobutyric acid, N-(N-propyloxycarbonyl)-, N-propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 231.147058156 u
Formula C11H21NO4
InChI InChI=1S/C11H21NO4/c1-4-6-15-10(13)9(3)8-12-11(14)16-7-5-2/h9H,4-8H2,1-3H3,(H,12,14)/t9-/m1/s1
InChIKey AFPIILUOBFJPHF-SECBINFHSA-N
Molecular Weight 231.292 g/mol
SMILES C(NC(OCCC)=O)[C@@](C)(C(OCCC)=O)[H]