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Carbonic acid, monoamide, N-benzyl-N-heptyl-, hexyl ester

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

Carbonic acid, monoamide, N-benzyl-N-heptyl-, hexyl ester
SpectraBase Compound ID FMy8LHdY5Zl
InChI InChI=1S/C21H35NO2/c1-3-5-7-9-13-17-22(19-20-15-11-10-12-16-20)21(23)24-18-14-8-6-4-2/h10-12,15-16H,3-9,13-14,17-19H2,1-2H3
InChIKey XOIPTHBLHIZFRI-UHFFFAOYSA-N
Mol Weight 333.5 g/mol
Molecular Formula C21H35NO2
Exact Mass 333.266779 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HlTruFh7vVp
Name Carbonic acid, monoamide, N-benzyl-N-heptyl-, hexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.266779369 u
Formula C21H35NO2
InChI InChI=1S/C21H35NO2/c1-3-5-7-9-13-17-22(19-20-15-11-10-12-16-20)21(23)24-18-14-8-6-4-2/h10-12,15-16H,3-9,13-14,17-19H2,1-2H3
InChIKey XOIPTHBLHIZFRI-UHFFFAOYSA-N
Molecular Weight 333.516 g/mol
SMILES CCCCCCOC(=O)N(CCCCCCC)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.849588