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3-(3-Oxo-2-phenethylisoindolin-1-yl)pentane-2,4-dione
SpectraBase Compound ID BUW45PDZjCA
InChI InChI=1S/C21H21NO3/c1-14(23)19(15(2)24)20-17-10-6-7-11-18(17)21(25)22(20)13-12-16-8-4-3-5-9-16/h3-11,19-20H,12-13H2,1-2H3
InChIKey YVHAOSRRTWYKBG-UHFFFAOYSA-N
Mol Weight 335.4 g/mol
Molecular Formula C21H21NO3
Exact Mass 335.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rndoQovttJ
Name 3-(3-Oxo-2-phenethylisoindolin-1-yl)pentane-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO3
InChI InChI=1S/C21H21NO3/c1-14(23)19(15(2)24)20-17-10-6-7-11-18(17)21(25)22(20)13-12-16-8-4-3-5-9-16/h3-11,19-20H,12-13H2,1-2H3
InChIKey YVHAOSRRTWYKBG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo4015886
Molecular Weight 335.403 g/mol
SMILES c1ccc2C(C(C(=O)C)C(=O)C)N(C(c2c1)=O)CCc1ccccc1
SPLASH splash10-00dl-0890000000-e5a885cba6dedc581925
Source of Spectrum J-79-1909-VC
Wiley ID 1745781