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(1R,2S)-2-o-Toluamide-1-phenylpropanol

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

(1R,2S)-2-o-Toluamide-1-phenylpropanol
SpectraBase Compound ID Gi98lV119Pv
InChI InChI=1S/C17H19NO2/c1-12-8-6-7-11-15(12)17(20)18-13(2)16(19)14-9-4-3-5-10-14/h3-11,13,16,19H,1-2H3,(H,18,20)/t13-,16-/m0/s1
InChIKey DFOBTWBPPULYJH-BBRMVZONSA-N
Mol Weight 269.34 g/mol
Molecular Formula C17H19NO2
Exact Mass 269.141579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3Qa91ybvCSP
Name (1R,2S)-2-o-Toluamide-1-phenylpropanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.141578854 u
Formula C17H19NO2
InChI InChI=1S/C17H19NO2/c1-12-8-6-7-11-15(12)17(20)18-13(2)16(19)14-9-4-3-5-10-14/h3-11,13,16,19H,1-2H3,(H,18,20)/t13-,16-/m0/s1
InChIKey DFOBTWBPPULYJH-BBRMVZONSA-N
SMILES C(N[C@]([C@@](C1=CC=CC=C1)(O)[H])(C)[H])(C1=C(C)C=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938771