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(1R,2R)-2-[(Benzyloxycarbonyl)(methyl)amino]-1-phenylpropane-1,3-diol

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

(1R,2R)-2-[(Benzyloxycarbonyl)(methyl)amino]-1-phenylpropane-1,3-diol
SpectraBase Compound ID DTnLOllR2fF
InChI InChI=1S/C18H21NO4/c1-19(18(22)23-13-14-8-4-2-5-9-14)16(12-20)17(21)15-10-6-3-7-11-15/h2-11,16-17,20-21H,12-13H2,1H3/t16-,17-/m1/s1
InChIKey NDHZQZVUPQNGEC-IAGOWNOFSA-N
Mol Weight 315.37 g/mol
Molecular Formula C18H21NO4
Exact Mass 315.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTPg6Y85WDO
Name (1R,2R)-2-[(Benzyloxycarbonyl)(methyl)amino]-1-phenylpropane-1,3-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.147058156 u
Formula C18H21NO4
InChI InChI=1S/C18H21NO4/c1-19(18(22)23-13-14-8-4-2-5-9-14)16(12-20)17(21)15-10-6-3-7-11-15/h2-11,16-17,20-21H,12-13H2,1H3/t16-,17-/m1/s1
InChIKey NDHZQZVUPQNGEC-IAGOWNOFSA-N
SMILES [C@]([C@@](CO)(N(C)C(=O)OCC=1C=CC=CC1)[H])(O)(C=1C=CC=CC1)[H]