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1-(3,6-Dihydro-1(2H)-pyridinyl)-3-(2-methylphenoxy)-2-propanol, acetate

View entire compound with spectra: 1 NMR, and 1 FTIR

1-(3,6-Dihydro-1(2H)-pyridinyl)-3-(2-methylphenoxy)-2-propanol, acetate
SpectraBase Compound ID EOx9U9ZsyXA
InChI InChI=1S/C17H23NO3/c1-14-8-4-5-9-17(14)20-13-16(21-15(2)19)12-18-10-6-3-7-11-18/h3-6,8-9,16H,7,10-13H2,1-2H3
InChIKey XSBUQSOFPGVDKY-UHFFFAOYSA-N
Mol Weight 289.38 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DRxzfIBydMX
Name 1-(3,6-Dihydro-1(2H)-pyridinyl)-3-(2-methylphenoxy)-2-propanol, acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.167793602 u
Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-14-8-4-5-9-17(14)20-13-16(21-15(2)19)12-18-10-6-3-7-11-18/h3-6,8-9,16H,7,10-13H2,1-2H3
InChIKey XSBUQSOFPGVDKY-UHFFFAOYSA-N
SMILES C(OC1=C(C)C=CC=C1)C(CN1CCC=CC1)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972885