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(S)-N-[2'-(Hydroxymethyl)phenyl]-N-methyl-L-valine-benzyl ester

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

(S)-N-[2'-(Hydroxymethyl)phenyl]-N-methyl-L-valine-benzyl ester
SpectraBase Compound ID HRC8a47PRKV
InChI InChI=1S/C20H25NO3/c1-15(2)19(20(23)24-14-16-9-5-4-6-10-16)21(3)18-12-8-7-11-17(18)13-22/h4-12,15,19,22H,13-14H2,1-3H3/t19-/m0/s1
InChIKey KMFXKOMHLFMDBY-IBGZPJMESA-N
Mol Weight 327.42 g/mol
Molecular Formula C20H25NO3
Exact Mass 327.183444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3IT0ZRdZu2a
Name (S)-N-[2'-(Hydroxymethyl)phenyl]-N-methyl-L-valine-benzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.183443666 u
Formula C20H25NO3
InChI InChI=1S/C20H25NO3/c1-15(2)19(20(23)24-14-16-9-5-4-6-10-16)21(3)18-12-8-7-11-17(18)13-22/h4-12,15,19,22H,13-14H2,1-3H3/t19-/m0/s1
InChIKey KMFXKOMHLFMDBY-IBGZPJMESA-N
Molecular Weight 327.424 g/mol
SMILES C=1(N([C@](C(OCC=2C=CC=CC2)=O)(C(C)C)[H])C)C(CO)=CC=CC1