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N-(2'-Methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N-(2'-Methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide
SpectraBase Compound ID 89aok9EPy0D
InChI InChI=1S/C16H23NO2/c1-15(2)14-17-16(19)12-10-8-6-4-3-5-7-9-11-13-18/h5-13,15H,3-4,14H2,1-2H3,(H,17,19)/b7-5+,8-6+,11-9+,12-10+
InChIKey LOKIZXMMTFRUNU-HCNIIHBUSA-N
Mol Weight 261.36 g/mol
Molecular Formula C16H23NO2
Exact Mass 261.172879 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4DIOvm3iMnL
Name N-(2'-Methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.172878983 u
Formula C16H23NO2
InChI InChI=1S/C16H23NO2/c1-15(2)14-17-16(19)12-10-8-6-4-3-5-7-9-11-13-18/h5-13,15H,3-4,14H2,1-2H3,(H,17,19)/b7-5+,8-6+,11-9+,12-10+
InChIKey LOKIZXMMTFRUNU-HCNIIHBUSA-N
Molecular Weight 261.365 g/mol
SMILES C(NCC(C)C)(\C=C\C=C\CC\C=C\C=C\C=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977479