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4-Benzyl-4-hydroxy-2-methyl-4H-isoquinoline-1,3-dione

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4-Benzyl-4-hydroxy-2-methyl-4H-isoquinoline-1,3-dione
SpectraBase Compound ID GRUev6icXrm
InChI InChI=1S/C17H15NO3/c1-18-15(19)13-9-5-6-10-14(13)17(21,16(18)20)11-12-7-3-2-4-8-12/h2-10,21H,11H2,1H3
InChIKey GQBBIEWJTTWLOX-UHFFFAOYSA-N
Mol Weight 281.31 g/mol
Molecular Formula C17H15NO3
Exact Mass 281.105193 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JBVRjcwV70U
Name 4-Benzyl-4-hydroxy-2-methyl-4H-isoquinoline-1,3-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.105193344 u
Formula C17H15NO3
InChI InChI=1S/C17H15NO3/c1-18-15(19)13-9-5-6-10-14(13)17(21,16(18)20)11-12-7-3-2-4-8-12/h2-10,21H,11H2,1H3
InChIKey GQBBIEWJTTWLOX-UHFFFAOYSA-N
SMILES C1(N(C(C2=C(C1(CC1=CC=CC=C1)O)C=CC=C2)=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914495