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Carbonic acid, monoamide, N-propyl-N-decyl-, but-2-yn-1-yl ester

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

Carbonic acid, monoamide, N-propyl-N-decyl-, but-2-yn-1-yl ester
SpectraBase Compound ID 2lvyDvFsGjV
InChI InChI=1S/C18H33NO2/c1-4-7-9-10-11-12-13-14-16-19(15-6-3)18(20)21-17-8-5-2/h4,6-7,9-17H2,1-3H3
InChIKey CDUAXGMJEWHCEG-UHFFFAOYSA-N
Mol Weight 295.5 g/mol
Molecular Formula C18H33NO2
Exact Mass 295.251129 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 49tEMnmmsuW
Name Carbonic acid, monoamide, N-propyl-N-decyl-, but-2-yn-1-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.251129305 u
Formula C18H33NO2
InChI InChI=1S/C18H33NO2/c1-4-7-9-10-11-12-13-14-16-19(15-6-3)18(20)21-17-8-5-2/h4,6-7,9-17H2,1-3H3
InChIKey CDUAXGMJEWHCEG-UHFFFAOYSA-N
SMILES C(=O)(OCC#CC)N(CCC)CCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907423