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3-(2-Ethylhexoxy)propan-1-amine, N-acetate

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

3-(2-Ethylhexoxy)propan-1-amine, N-acetate
SpectraBase Compound ID 8GkrBItEfSW
InChI InChI=1S/C13H27NO2/c1-4-6-8-13(5-2)11-16-10-7-9-14-12(3)15/h13H,4-11H2,1-3H3,(H,14,15)
InChIKey JROXMRVYNAHIMS-UHFFFAOYSA-N
Mol Weight 229.36 g/mol
Molecular Formula C13H27NO2
Exact Mass 229.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 24nQptoeSA
Name 3-(2-Ethylhexoxy)propan-1-amine, N-acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 229.204179111 u
Formula C13H27NO2
InChI InChI=1S/C13H27NO2/c1-4-6-8-13(5-2)11-16-10-7-9-14-12(3)15/h13H,4-11H2,1-3H3,(H,14,15)
InChIKey JROXMRVYNAHIMS-UHFFFAOYSA-N
Molecular Weight 229.364 g/mol
SMILES CCCCC(COCCCNC(=O)C)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.98801