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N-(2-Methyl-3-butylpenta-4,5-dienyl)-phthamide

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

N-(2-Methyl-3-butylpenta-4,5-dienyl)-phthamide
SpectraBase Compound ID 2gImD9fhjnz
InChI InChI=1S/C18H21NO2/c1-4-6-9-14(5-2)13(3)12-19-17(20)15-10-7-8-11-16(15)18(19)21/h7-8,10-11,13H,2,4,6,9,12H2,1,3H3
InChIKey PMOJLXWVWRWSBS-UHFFFAOYSA-N
Mol Weight 283.37 g/mol
Molecular Formula C18H21NO2
Exact Mass 283.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 941FQTXbTk8
Name N-(2-Methyl-3-butylpenta-4,5-dienyl)-phthamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.157228918 u
Formula C18H21NO2
InChI InChI=1S/C18H21NO2/c1-4-6-9-14(5-2)13(3)12-19-17(20)15-10-7-8-11-16(15)18(19)21/h7-8,10-11,13H,2,4,6,9,12H2,1,3H3
InChIKey PMOJLXWVWRWSBS-UHFFFAOYSA-N
SMILES C1(N(C(C2=CC=CC=C12)=O)CC(C(=C=C)CCCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938919