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(S)-Methyl 3-[allyl-((R)-1-phenylethyl)amino]-3-phenylpropaonate

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

(S)-Methyl 3-[allyl-((R)-1-phenylethyl)amino]-3-phenylpropaonate
SpectraBase Compound ID C0XQJbfb0D7
InChI InChI=1S/C21H25NO2/c1-4-15-22(17(2)18-11-7-5-8-12-18)20(16-21(23)24-3)19-13-9-6-10-14-19/h4-14,17,20H,1,15-16H2,2-3H3/t17-,20+/m1/s1
InChIKey NVWSZENCIZSXIJ-XLIONFOSSA-N
Mol Weight 323.44 g/mol
Molecular Formula C21H25NO2
Exact Mass 323.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27Gnitimwmz
Name (S)-Methyl 3-[allyl-((R)-1-phenylethyl)amino]-3-phenylpropaonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.188529047 u
Formula C21H25NO2
InChI InChI=1S/C21H25NO2/c1-4-15-22(17(2)18-11-7-5-8-12-18)20(16-21(23)24-3)19-13-9-6-10-14-19/h4-14,17,20H,1,15-16H2,2-3H3/t17-,20+/m1/s1
InChIKey NVWSZENCIZSXIJ-XLIONFOSSA-N
Molecular Weight 323.436 g/mol
SMILES C=1(C=CC=CC1)[C@@](N([C@@](C=1C=CC=CC1)(C)[H])CC=C)(CC(OC)=O)[H]