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(2S)-3-methyl-2-[[(1S)-1-phenylbut-3-enyl]amino]butanoic acid tert-butyl ester

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

(2S)-3-methyl-2-[[(1S)-1-phenylbut-3-enyl]amino]butanoic acid tert-butyl ester
SpectraBase Compound ID 4kNON8rouRS
InChI InChI=1S/C19H29NO2/c1-7-11-16(15-12-9-8-10-13-15)20-17(14(2)3)18(21)22-19(4,5)6/h7-10,12-14,16-17,20H,1,11H2,2-6H3/t16-,17-/m0/s1
InChIKey GMRLDXBNZNAFOA-IRXDYDNUSA-N
Mol Weight 303.45 g/mol
Molecular Formula C19H29NO2
Exact Mass 303.219829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KrY46xqlbuG
Name (2S)-3-Methyl-2-[[(1S)-1-phenylbut-3-enyl]amino]butanoic acid tert-butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.219829176 u
Formula C19H29NO2
InChI InChI=1S/C19H29NO2/c1-7-11-16(15-12-9-8-10-13-15)20-17(14(2)3)18(21)22-19(4,5)6/h7-10,12-14,16-17,20H,1,11H2,2-6H3/t16-,17-/m0/s1
InChIKey GMRLDXBNZNAFOA-IRXDYDNUSA-N
SMILES C([C@@](N[C@](C1=CC=CC=C1)(CC=C)[H])(C(C)C)[H])(OC(C)(C)C)=O