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oct-3-Enoylamide, N-2-ethylhexyl-

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

oct-3-Enoylamide, N-2-ethylhexyl-
SpectraBase Compound ID LOxL8uWtDpj
InChI InChI=1S/C16H31NO/c1-4-7-9-10-11-13-16(18)17-14-15(6-3)12-8-5-2/h10-11,15H,4-9,12-14H2,1-3H3,(H,17,18)/b11-10+
InChIKey DDPKKMJMQSGXDT-ZHACJKMWSA-N
Mol Weight 253.43 g/mol
Molecular Formula C16H31NO
Exact Mass 253.240565 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IGol9kjWj79
Name oct-3-Enoylamide, N-2-ethylhexyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.240564621 u
Formula C16H31NO
InChI InChI=1S/C16H31NO/c1-4-7-9-10-11-13-16(18)17-14-15(6-3)12-8-5-2/h10-11,15H,4-9,12-14H2,1-3H3,(H,17,18)/b11-10+
InChIKey DDPKKMJMQSGXDT-ZHACJKMWSA-N
Molecular Weight 253.430 g/mol
SMILES C(NCC(CCCC)CC)(=O)C\C=C\CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977782