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(4E)-2-(5-Methyl-2-methylene-4-propyloct-4-enyl)isoindoline-1,3-dione
SpectraBase Compound ID IAsOgup3o5Y
InChI InChI=1S/C21H27NO2/c1-5-9-16(4)17(10-6-2)13-15(3)14-22-20(23)18-11-7-8-12-19(18)21(22)24/h7-8,11-12H,3,5-6,9-10,13-14H2,1-2,4H3/b17-16+
InChIKey AFKJJRFZHOKFHY-WUKNDPDISA-N
Mol Weight 325.45 g/mol
Molecular Formula C21H27NO2
Exact Mass 325.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HY4K2eIR56u
Name (4E)-2-(5-Methyl-2-methylene-4-propyloct-4-enyl)isoindoline-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO2
InChI InChI=1S/C21H27NO2/c1-5-9-16(4)17(10-6-2)13-15(3)14-22-20(23)18-11-7-8-12-19(18)21(22)24/h7-8,11-12H,3,5-6,9-10,13-14H2,1-2,4H3/b17-16+
InChIKey AFKJJRFZHOKFHY-WUKNDPDISA-N
Literature Reference DOI 10.1021/ol102083v
Molecular Weight 325.452 g/mol
SMILES c1ccc2C(N(CC(=C)C\C(CCC)=C\(CCC)C)C(c2c1)=O)=O
SPLASH splash10-07vs-2900000000-796270eb33abc3912097
Source of Spectrum A1-12-4920/SM13-6
Synonyms 2-((E)-5-methyl-2-methylene-4-propyloct-4-enyl)isoindoline-1,3-dione (E)-2-(5-methyl-2-methylene-4-propyloct-4-en-1-yl)isoindoline-1,3-dione
Wiley ID 1752638