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1-(N-Actyl-N-butylaminomethyl)-2-(1-ethoxypropen-2-yl)benzene

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

1-(N-Actyl-N-butylaminomethyl)-2-(1-ethoxypropen-2-yl)benzene
SpectraBase Compound ID 5omHYCnRgbY
InChI InChI=1S/C18H27NO2/c1-5-7-12-19(16(4)20)13-17-10-8-9-11-18(17)15(3)14-21-6-2/h8-11,14H,5-7,12-13H2,1-4H3/b15-14+
InChIKey YIOXBWIGXUOWKA-CCEZHUSRSA-N
Mol Weight 289.42 g/mol
Molecular Formula C18H27NO2
Exact Mass 289.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2T00ND7neH7
Name 1-(N-Actyl-N-butylaminomethyl)-2-(1-ethoxypropen-2-yl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.204179111 u
Formula C18H27NO2
InChI InChI=1S/C18H27NO2/c1-5-7-12-19(16(4)20)13-17-10-8-9-11-18(17)15(3)14-21-6-2/h8-11,14H,5-7,12-13H2,1-4H3/b15-14+
InChIKey YIOXBWIGXUOWKA-CCEZHUSRSA-N
SMILES C(N(CC=1C(\C(=C\OCC)C)=CC=CC1)CCCC)(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931903