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Carbonic acid, monoamide, N-(2-pentyl)-N-pentyl-, benzyl ester

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

Carbonic acid, monoamide, N-(2-pentyl)-N-pentyl-, benzyl ester
SpectraBase Compound ID BbIPM5LBYDI
InChI InChI=1S/C18H29NO2/c1-4-6-10-14-19(16(3)11-5-2)18(20)21-15-17-12-8-7-9-13-17/h7-9,12-13,16H,4-6,10-11,14-15H2,1-3H3
InChIKey CFKIXMWODYIZHG-UHFFFAOYSA-N
Mol Weight 291.44 g/mol
Molecular Formula C18H29NO2
Exact Mass 291.219829 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 37RFVt8kYlO
Name Carbonic acid, monoamide, N-(2-pentyl)-N-pentyl-, benzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.219829176 u
Formula C18H29NO2
InChI InChI=1S/C18H29NO2/c1-4-6-10-14-19(16(3)11-5-2)18(20)21-15-17-12-8-7-9-13-17/h7-9,12-13,16H,4-6,10-11,14-15H2,1-3H3
InChIKey CFKIXMWODYIZHG-UHFFFAOYSA-N
SMILES CCCC(C)N(C(OCC=1C=CC=CC1)=O)CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94893