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2-(3-Methylbut-2-enyl)-3-(2-oxocyclohexyl)isoindolin-1-one
SpectraBase Compound ID JW2aPoSzqmb
InChI InChI=1S/C19H23NO2/c1-13(2)11-12-20-18(16-9-5-6-10-17(16)21)14-7-3-4-8-15(14)19(20)22/h3-4,7-8,11,16,18H,5-6,9-10,12H2,1-2H3
InChIKey XLCXVZRYMNOSTC-UHFFFAOYSA-N
Mol Weight 297.4 g/mol
Molecular Formula C19H23NO2
Exact Mass 297.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkcEZy30Zo7
Name 2-(3-Methylbut-2-enyl)-3-(2-oxocyclohexyl)isoindolin-1-one
Appearance Viscous oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.172878983 u
Formula C19H23NO2
InChI InChI=1S/C19H23NO2/c1-13(2)11-12-20-18(16-9-5-6-10-17(16)21)14-7-3-4-8-15(14)19(20)22/h3-4,7-8,11,16,18H,5-6,9-10,12H2,1-2H3
InChIKey XLCXVZRYMNOSTC-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201504772
Quality 39
Reported Formula C19H23NO2
SMILES CC(=CCN1C(C2=C(C1C1C(CCCC1)=O)C=CC=C2)=O)C
SPLASH splash10-001i-0980000000-7e8ba02ae18e5a18aa7b
Sample Comments dr = 52:48
Source of Spectrum QE-22-6019-4ba (DOI: 10.1002/chem.201504772)
Thin-Layer Chromatography 0.37 (cyclohexane/EtOAc, 70:30)
Wiley ID 1903110