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

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Carbonic acid, monoamide, N-(2-pentyl)-N-butyl-, benzyl ester
SpectraBase Compound ID DqS4Fe0MyIU
InChI InChI=1S/C17H27NO2/c1-4-6-13-18(15(3)10-5-2)17(19)20-14-16-11-8-7-9-12-16/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3
InChIKey SWISSGNYZVSHRG-UHFFFAOYSA-N
Mol Weight 277.41 g/mol
Molecular Formula C17H27NO2
Exact Mass 277.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3Si3fZMJM76
Name Carbonic acid, monoamide, N-(2-pentyl)-N-butyl-, benzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.204179111 u
Formula C17H27NO2
InChI InChI=1S/C17H27NO2/c1-4-6-13-18(15(3)10-5-2)17(19)20-14-16-11-8-7-9-12-16/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3
InChIKey SWISSGNYZVSHRG-UHFFFAOYSA-N
Molecular Weight 277.408 g/mol
SMILES CCCC(C)N(C(OCC=1C=CC=CC1)=O)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957966