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(2R,3R)-3-phenyl-3-(1-piperidinyl)propane-1,2-diol

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

(2R,3R)-3-phenyl-3-(1-piperidinyl)propane-1,2-diol
SpectraBase Compound ID JApl6zAvhYg
InChI InChI=1S/C14H21NO2/c16-11-13(17)14(12-7-3-1-4-8-12)15-9-5-2-6-10-15/h1,3-4,7-8,13-14,16-17H,2,5-6,9-11H2/t13-,14+/m0/s1
InChIKey ZBMNCUPHPKTEDD-UONOGXRCSA-N
Mol Weight 235.33 g/mol
Molecular Formula C14H21NO2
Exact Mass 235.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EdSXPPZn4ft
Name (2R,3R)-3-Phenyl-3-(1-piperidinyl)propane-1,2-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.157228918 u
Formula C14H21NO2
InChI InChI=1S/C14H21NO2/c16-11-13(17)14(12-7-3-1-4-8-12)15-9-5-2-6-10-15/h1,3-4,7-8,13-14,16-17H,2,5-6,9-11H2/t13-,14+/m0/s1
InChIKey ZBMNCUPHPKTEDD-UONOGXRCSA-N
Molecular Weight 235.327 g/mol
SMILES [C@@](N1CCCCC1)([C@@](O)(CO)[H])(C=1C=CC=CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919808