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2-(Phenylmethyl)isoquinoline-1,3,4-trione
SpectraBase Compound ID 3JLey1Do82j
InChI InChI=1S/C16H11NO3/c18-14-12-8-4-5-9-13(12)15(19)17(16(14)20)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey MCRWFXGWJMDFON-UHFFFAOYSA-N
Mol Weight 265.27 g/mol
Molecular Formula C16H11NO3
Exact Mass 265.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2R5NnTViV4
Name 2-(Phenylmethyl)isoquinoline-1,3,4-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11NO3
InChI InChI=1S/C16H11NO3/c18-14-12-8-4-5-9-13(12)15(19)17(16(14)20)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey MCRWFXGWJMDFON-UHFFFAOYSA-N
Molecular Weight 265.268 g/mol
SMILES C1(N(C(c2c(C1=O)cccc2)=O)Cc1ccccc1)=O
SPLASH splash10-014i-0190000000-4bb04c98d56a124722a2
Source of Spectrum F-55-9195-6
Synonyms 2-Benzylisoquinoline-1,3,4-trione
Wiley ID 838731