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Carbonic acid, monoamide, N-propyl-N-octadecyl-, butyl ester

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Carbonic acid, monoamide, N-propyl-N-octadecyl-, butyl ester
SpectraBase Compound ID Hs89rME7tpe
InChI InChI=1S/C26H53NO2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(23-6-3)26(28)29-25-8-5-2/h4-25H2,1-3H3
InChIKey DJFSMDZUDXMDEO-UHFFFAOYSA-N
Mol Weight 411.7 g/mol
Molecular Formula C26H53NO2
Exact Mass 411.40763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7kYzvsLgDLv
Name Carbonic acid, monoamide, N-propyl-N-octadecyl-, butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.407629949 u
Formula C26H53NO2
InChI InChI=1S/C26H53NO2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(23-6-3)26(28)29-25-8-5-2/h4-25H2,1-3H3
InChIKey DJFSMDZUDXMDEO-UHFFFAOYSA-N
Molecular Weight 411.715 g/mol
SMILES C(N(CCC)CCCCCCCCCCCCCCCCCC)(=O)OCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905059