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

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

Carbonic acid, monoamide, N-(2-butyl)-N-dodecyl-, octyl ester
SpectraBase Compound ID Ae4BRtFvfP5
InChI InChI=1S/C25H51NO2/c1-5-8-10-12-14-15-16-17-18-20-22-26(24(4)7-3)25(27)28-23-21-19-13-11-9-6-2/h24H,5-23H2,1-4H3
InChIKey FLMIGPFWKCJTFM-UHFFFAOYSA-N
Mol Weight 397.7 g/mol
Molecular Formula C25H51NO2
Exact Mass 397.39198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E3EZqAutWCp
Name Carbonic acid, monoamide, N-(2-butyl)-N-dodecyl-, octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.391979884 u
Formula C25H51NO2
InChI InChI=1S/C25H51NO2/c1-5-8-10-12-14-15-16-17-18-20-22-26(24(4)7-3)25(27)28-23-21-19-13-11-9-6-2/h24H,5-23H2,1-4H3
InChIKey FLMIGPFWKCJTFM-UHFFFAOYSA-N
Molecular Weight 397.688 g/mol
SMILES C(N(CCCCCCCCCCCC)C(CC)C)(=O)OCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93988