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2-(Phenylmethyl)-4H-isoquinoline-1,3-dione
SpectraBase Compound ID 8pOKdLp0D85
InChI InChI=1S/C16H13NO2/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey WLKLQVQYVROPCI-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C16H13NO2
Exact Mass 251.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3h14MHb2uWM
Name 2-(Phenylmethyl)-4H-isoquinoline-1,3-dione
Alternate Name(s) 2-Benzyl-1,3(2H,4H)-isoquinolinedione 2-Benzyl-4H-isoquinoline-1,3-dione 2-Benzyl-4H-isoquinoline-1,3-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey WLKLQVQYVROPCI-UHFFFAOYSA-N
Molecular Weight 251.285 g/mol
SMILES C1(N(C(Cc2ccccc12)=O)Cc1ccccc1)=O
SPLASH splash10-0udi-1490000000-26b7af27027bf88c59b5
Source of Spectrum Y-32-75-2
Wiley ID 1254705