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

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

Carbonic acid, monoamide, N-(2-pentyl)-N-hexyl-, benzyl ester
SpectraBase Compound ID DEFBvcAOhvH
InChI InChI=1S/C19H31NO2/c1-4-6-7-11-15-20(17(3)12-5-2)19(21)22-16-18-13-9-8-10-14-18/h8-10,13-14,17H,4-7,11-12,15-16H2,1-3H3
InChIKey VZOWYCOSGUMVEQ-UHFFFAOYSA-N
Mol Weight 305.46 g/mol
Molecular Formula C19H31NO2
Exact Mass 305.235479 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7UjqdlLN64T
Name Carbonic acid, monoamide, N-(2-pentyl)-N-hexyl-, benzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.235479240 u
Formula C19H31NO2
InChI InChI=1S/C19H31NO2/c1-4-6-7-11-15-20(17(3)12-5-2)19(21)22-16-18-13-9-8-10-14-18/h8-10,13-14,17H,4-7,11-12,15-16H2,1-3H3
InChIKey VZOWYCOSGUMVEQ-UHFFFAOYSA-N
Molecular Weight 305.462 g/mol
SMILES CCCC(C)N(C(OCC=1C=CC=CC1)=O)CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94229