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Carbonic acid, monoamide, N-benzyl-N-(2-ethylhexyl)-, hexyl ester

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

Carbonic acid, monoamide, N-benzyl-N-(2-ethylhexyl)-, hexyl ester
SpectraBase Compound ID Kf7i11M4ZTR
InChI InChI=1S/C22H37NO2/c1-4-7-9-13-17-25-22(24)23(18-20(6-3)14-8-5-2)19-21-15-11-10-12-16-21/h10-12,15-16,20H,4-9,13-14,17-19H2,1-3H3
InChIKey OJRDJQCSRYOMGH-UHFFFAOYSA-N
Mol Weight 347.5 g/mol
Molecular Formula C22H37NO2
Exact Mass 347.282429 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BF2XmdSHtVl
Name Carbonic acid, monoamide, N-benzyl-N-(2-ethylhexyl)-, hexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.282429433 u
Formula C22H37NO2
InChI InChI=1S/C22H37NO2/c1-4-7-9-13-17-25-22(24)23(18-20(6-3)14-8-5-2)19-21-15-11-10-12-16-21/h10-12,15-16,20H,4-9,13-14,17-19H2,1-3H3
InChIKey OJRDJQCSRYOMGH-UHFFFAOYSA-N
Molecular Weight 347.543 g/mol
SMILES CCCCCCOC(=O)N(CC1=CC=CC=C1)CC(CCCC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.808895