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(2S)-2-(benzyloxycarbonylamino)-4-keto-4-phenyl-butyric acid

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

(2S)-2-(benzyloxycarbonylamino)-4-keto-4-phenyl-butyric acid
SpectraBase Compound ID 4QNs39ATHNP
InChI InChI=1S/C18H17NO5/c20-16(14-9-5-2-6-10-14)11-15(17(21)22)19-18(23)24-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,19,23)(H,21,22)/t15-/m0/s1
InChIKey GSJJKHOSHRMFJJ-HNNXBMFYSA-N
Mol Weight 327.34 g/mol
Molecular Formula C18H17NO5
Exact Mass 327.110673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8QC7urCGMJW
Name (2S)-2-(Benzyloxycarbonylamino)-4-keto-4-phenyl-butyric acid
Comments Computed using HOSE algorithm
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Exact Mass 327.110672646 u
Formula C18H17NO5
InChI InChI=1S/C18H17NO5/c20-16(14-9-5-2-6-10-14)11-15(17(21)22)19-18(23)24-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,19,23)(H,21,22)/t15-/m0/s1
InChIKey GSJJKHOSHRMFJJ-HNNXBMFYSA-N
Molecular Weight 327.336 g/mol
SMILES C(N[C@@](CC(=O)C1=CC=CC=C1)(C(=O)O)[H])(=O)OCC=1C=CC=CC1