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Carbonic acid, monoamide, N-hexadecyl-, 2-ethylhexyl ester

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

Carbonic acid, monoamide, N-hexadecyl-, 2-ethylhexyl ester
SpectraBase Compound ID 5QOYwYWa020
InChI InChI=1S/C25H51NO2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-25(27)28-23-24(6-3)21-8-5-2/h24H,4-23H2,1-3H3,(H,26,27)
InChIKey RRMSZBHNWSZBME-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 FmOlpCC9m3s
Name Carbonic acid, monoamide, N-hexadecyl-, 2-ethylhexyl 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/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-25(27)28-23-24(6-3)21-8-5-2/h24H,4-23H2,1-3H3,(H,26,27)
InChIKey RRMSZBHNWSZBME-UHFFFAOYSA-N
Molecular Weight 397.688 g/mol
SMILES C(NCCCCCCCCCCCCCCCC)(=O)OCC(CCCC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.864433