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1-(Isopropylamino)-3-(4-methylphenoxy)-2-propanol (isomer 1)

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

1-(Isopropylamino)-3-(4-methylphenoxy)-2-propanol (isomer 1)
SpectraBase Compound ID BuDhzZUWVFi
InChI InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-11(3)5-7-13/h4-7,10,12,14-15H,8-9H2,1-3H3
InChIKey MJXGIIVJTPVZCW-UHFFFAOYSA-N
Mol Weight 223.32 g/mol
Molecular Formula C13H21NO2
Exact Mass 223.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8SttIg9Zt2F
Name 1-(Isopropylamino)-3-(4-methylphenoxy)-2-propanol (isomer 1)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.157228918 u
Formula C13H21NO2
InChI InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-11(3)5-7-13/h4-7,10,12,14-15H,8-9H2,1-3H3
InChIKey MJXGIIVJTPVZCW-UHFFFAOYSA-N
Molecular Weight 223.316 g/mol
SMILES C(NCC(O)COC1=CC=C(C=C1)C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97035