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

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

Carbonic acid, monoamide, N-propyl-N-nonyl-, but-2-yn-1-yl ester
SpectraBase Compound ID 9IxUXhRScQW
InChI InChI=1S/C17H31NO2/c1-4-7-9-10-11-12-13-15-18(14-6-3)17(19)20-16-8-5-2/h4,6-7,9-16H2,1-3H3
InChIKey CRJSPVDDCNLJER-UHFFFAOYSA-N
Mol Weight 281.44 g/mol
Molecular Formula C17H31NO2
Exact Mass 281.235479 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2yNPoPoySnc
Name Carbonic acid, monoamide, N-propyl-N-nonyl-, 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 281.235479240 u
Formula C17H31NO2
InChI InChI=1S/C17H31NO2/c1-4-7-9-10-11-12-13-15-18(14-6-3)17(19)20-16-8-5-2/h4,6-7,9-16H2,1-3H3
InChIKey CRJSPVDDCNLJER-UHFFFAOYSA-N
SMILES C(=O)(OCC#CC)N(CCC)CCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922036