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oct-3-Enoylamide, N-dodecyl-

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oct-3-Enoylamide, N-dodecyl-
SpectraBase Compound ID FToSimonOMf
InChI InChI=1S/C20H39NO/c1-3-5-7-9-10-11-12-13-15-17-19-21-20(22)18-16-14-8-6-4-2/h14,16H,3-13,15,17-19H2,1-2H3,(H,21,22)/b16-14+
InChIKey UQKOEOCZDYTJBU-JQIJEIRASA-N
Mol Weight 309.5 g/mol
Molecular Formula C20H39NO
Exact Mass 309.303165 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CuhgGYzdeHL
Name oct-3-Enoylamide, N-dodecyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.303164879 u
Formula C20H39NO
InChI InChI=1S/C20H39NO/c1-3-5-7-9-10-11-12-13-15-17-19-21-20(22)18-16-14-8-6-4-2/h14,16H,3-13,15,17-19H2,1-2H3,(H,21,22)/b16-14+
InChIKey UQKOEOCZDYTJBU-JQIJEIRASA-N
Molecular Weight 309.538 g/mol
SMILES C(NCCCCCCCCCCCC)(=O)C\C=C\CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957745