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Octa-2E,4E-dienocic_acid_isobutylamide

View entire compound with spectra: 2 NMR, and 1 FTIR

Octa-2E,4E-dienocic_acid_isobutylamide
SpectraBase Compound ID IXVp3ktq7TH
InChI InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+
InChIKey VZASTVPVPUAAJK-BLHCBFLLSA-N
Mol Weight 195.31 g/mol
Molecular Formula C12H21NO
Exact Mass 195.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DVgU0vdVs33
Name Octa-2E,4E-dienocic_acid_isobutylamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 195.162314299 u
Formula C12H21NO
InChI InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+
InChIKey VZASTVPVPUAAJK-BLHCBFLLSA-N
Molecular Weight 195.306 g/mol
SMILES C(NCC(C)C)(\C=C\C=C\CCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950373