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2-(2-Hydroxyethyl)-1,3,4(2H)-isoquinolinetrione

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2-(2-Hydroxyethyl)-1,3,4(2H)-isoquinolinetrione
SpectraBase Compound ID 7IpbyAbuwoE
InChI InChI=1S/C11H9NO4/c13-6-5-12-10(15)8-4-2-1-3-7(8)9(14)11(12)16/h1-4,13H,5-6H2
InChIKey PKNQSPJLWBDALE-UHFFFAOYSA-N
Mol Weight 219.2 g/mol
Molecular Formula C11H9NO4
Exact Mass 219.053158 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4QdFa8eNzTv
Name 2-(2-Hydroxyethyl)-1,3,4(2H)-isoquinolinetrione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.053157770 u
Formula C11H9NO4
InChI InChI=1S/C11H9NO4/c13-6-5-12-10(15)8-4-2-1-3-7(8)9(14)11(12)16/h1-4,13H,5-6H2
InChIKey PKNQSPJLWBDALE-UHFFFAOYSA-N
Molecular Weight 219.196 g/mol
SMILES C1(N(C(C2=C(C1=O)C=CC=C2)=O)CCO)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955423