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(2E,4E,12Z)-N-Isobutyloctadeca-2,4,12-trienamide

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

(2E,4E,12Z)-N-Isobutyloctadeca-2,4,12-trienamide
SpectraBase Compound ID LQg2rm8LVLV
InChI InChI=1S/C22H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h8-9,16-19,21H,4-7,10-15,20H2,1-3H3,(H,23,24)/b9-8-,17-16+,19-18+
InChIKey PCWWIOUZYOPZHT-VBUSEHTESA-N
Mol Weight 333.6 g/mol
Molecular Formula C22H39NO
Exact Mass 333.303165 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LU1MJ1f5QW1
Name (2E,4E,12Z)-N-Isobutyloctadeca-2,4,12-trienamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.303164879 u
Formula C22H39NO
InChI InChI=1S/C22H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h8-9,16-19,21H,4-7,10-15,20H2,1-3H3,(H,23,24)/b9-8-,17-16+,19-18+
InChIKey PCWWIOUZYOPZHT-VBUSEHTESA-N
Molecular Weight 333.560 g/mol
SMILES C(\C=C\C=C\CCCCCC\C=C/CCCCC)(=O)NCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.987598