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(3S)-3-(tert-butoxycarbonylamino)-3-phenyl-propionic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(3S)-3-(tert-butoxycarbonylamino)-3-phenyl-propionic acid
SpectraBase Compound ID ACDWXSOIHMt
InChI InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(9-12(16)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKey JTNQFJPZRTURSI-NSHDSACASA-N
Mol Weight 265.31 g/mol
Molecular Formula C14H19NO4
Exact Mass 265.131408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Df2xHnigtZ1
Name (3S)-3-(Tert-butoxycarbonylamino)-3-phenyl-propionic acid
Comments Computed using HOSE algorithm
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Exact Mass 265.131408092 u
Formula C14H19NO4
InChI InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(9-12(16)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKey JTNQFJPZRTURSI-NSHDSACASA-N
Molecular Weight 265.309 g/mol
SMILES C(N[C@@](CC(=O)O)(C=1C=CC=CC1)[H])(OC(C)(C)C)=O