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Carbonic acid, monoamide, N-(2-pentyl)-N-dodecyl-, octyl ester

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

Carbonic acid, monoamide, N-(2-pentyl)-N-dodecyl-, octyl ester
SpectraBase Compound ID BKUEtHSa7C8
InChI InChI=1S/C26H53NO2/c1-5-8-10-12-14-15-16-17-18-20-23-27(25(4)22-7-3)26(28)29-24-21-19-13-11-9-6-2/h25H,5-24H2,1-4H3
InChIKey SJKKLMGUWWAJQH-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 8s7gO5MatDI
Name Carbonic acid, monoamide, N-(2-pentyl)-N-dodecyl-, octyl 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/c1-5-8-10-12-14-15-16-17-18-20-23-27(25(4)22-7-3)26(28)29-24-21-19-13-11-9-6-2/h25H,5-24H2,1-4H3
InChIKey SJKKLMGUWWAJQH-UHFFFAOYSA-N
Molecular Weight 411.715 g/mol
SMILES CCCC(C)N(C(OCCCCCCCC)=O)CCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94167