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Carbonic acid, monoamide, N-(2-phenylethyl)-N-octyl-, propyl ester

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

Carbonic acid, monoamide, N-(2-phenylethyl)-N-octyl-, propyl ester
SpectraBase Compound ID FxvHxl88DEN
InChI InChI=1S/C20H33NO2/c1-3-5-6-7-8-12-16-21(20(22)23-18-4-2)17-15-19-13-10-9-11-14-19/h9-11,13-14H,3-8,12,15-18H2,1-2H3
InChIKey XLRDHFCVAKOMFO-UHFFFAOYSA-N
Mol Weight 319.5 g/mol
Molecular Formula C20H33NO2
Exact Mass 319.251129 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D1TLC2BecJD
Name Carbonic acid, monoamide, N-(2-phenylethyl)-N-octyl-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.251129305 u
Formula C20H33NO2
InChI InChI=1S/C20H33NO2/c1-3-5-6-7-8-12-16-21(20(22)23-18-4-2)17-15-19-13-10-9-11-14-19/h9-11,13-14H,3-8,12,15-18H2,1-2H3
InChIKey XLRDHFCVAKOMFO-UHFFFAOYSA-N
Molecular Weight 319.489 g/mol
SMILES CCCOC(=O)N(CCCCCCCC)CCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950384