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Carbonic acid, monoamide, N-(2-butyl)-N-hexadecyl-, but-2-ynyl ester

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

Carbonic acid, monoamide, N-(2-butyl)-N-hexadecyl-, but-2-ynyl ester
SpectraBase Compound ID L4BokhO5niY
InChI InChI=1S/C25H47NO2/c1-5-8-10-11-12-13-14-15-16-17-18-19-20-21-22-26(24(4)7-3)25(27)28-23-9-6-2/h24H,5,7-8,10-23H2,1-4H3
InChIKey STRYYHNBKFGUJF-UHFFFAOYSA-N
Mol Weight 393.7 g/mol
Molecular Formula C25H47NO2
Exact Mass 393.36068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GAaDURE2MN
Name Carbonic acid, monoamide, N-(2-butyl)-N-hexadecyl-, but-2-ynyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.360679755 u
Formula C25H47NO2
InChI InChI=1S/C25H47NO2/c1-5-8-10-11-12-13-14-15-16-17-18-19-20-21-22-26(24(4)7-3)25(27)28-23-9-6-2/h24H,5,7-8,10-23H2,1-4H3
InChIKey STRYYHNBKFGUJF-UHFFFAOYSA-N
Molecular Weight 393.656 g/mol
SMILES C(N(CCCCCCCCCCCCCCCC)C(CC)C)(=O)OCC#CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.802162