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Phenylalanine, 4-acetylamino-N-T-butoxycarbonyl-, T-butyl ester
SpectraBase Compound ID 290xayNR7th
InChI InChI=1S/C20H30N2O5/c1-13(23)21-15-10-8-14(9-11-15)12-16(17(24)26-19(2,3)4)22-18(25)27-20(5,6)7/h8-11,16H,12H2,1-7H3,(H,21,23)(H,22,25)
InChIKey SXRFGJLXJMAACC-UHFFFAOYSA-N
Mol Weight 378.47 g/mol
Molecular Formula C20H30N2O5
Exact Mass 378.215472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DuwzSAEqi1H
Name Phenylalanine, 4-acetylamino-N-T-butoxycarbonyl-, T-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 378.215472069 u
Formula C20H30N2O5
InChI InChI=1S/C20H30N2O5/c1-13(23)21-15-10-8-14(9-11-15)12-16(17(24)26-19(2,3)4)22-18(25)27-20(5,6)7/h8-11,16H,12H2,1-7H3,(H,21,23)(H,22,25)
InChIKey SXRFGJLXJMAACC-UHFFFAOYSA-N
Molecular Weight 378.469 g/mol
SMILES C1=CC(=CC=C1NC(C)=O)CC(C(OC(C)(C)C)=O)NC(OC(C)(C)C)=O