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(2S)-1-(2-Cyanophenoxy)-2,3-propanediol

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

(2S)-1-(2-Cyanophenoxy)-2,3-propanediol
SpectraBase Compound ID EJhKU6Ij7gC
InChI InChI=1S/C10H11NO3/c11-5-8-3-1-2-4-10(8)14-7-9(13)6-12/h1-4,9,12-13H,6-7H2/t9-/m0/s1
InChIKey GFPFQGFERWRLRO-VIFPVBQESA-N
Mol Weight 193.2 g/mol
Molecular Formula C10H11NO3
Exact Mass 193.073893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HZUJEilZreI
Name (2S)-1-(2-Cyanophenoxy)-2,3-propanediol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 193.073893215 u
Formula C10H11NO3
InChI InChI=1S/C10H11NO3/c11-5-8-3-1-2-4-10(8)14-7-9(13)6-12/h1-4,9,12-13H,6-7H2/t9-/m0/s1
InChIKey GFPFQGFERWRLRO-VIFPVBQESA-N
Molecular Weight 193.202 g/mol
SMILES C(#N)C=1C(OC[C@@](O)(CO)[H])=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96126