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4-Methoxy-2H-isoquinolin-1-one, N-acetyl

View entire compound with spectra: 1 FTIR

4-Methoxy-2H-isoquinolin-1-one, N-acetyl
SpectraBase Compound ID I6YB0kLyyco
InChI InChI=1S/C12H11NO3/c1-8(14)13-7-11(16-2)9-5-3-4-6-10(9)12(13)15/h3-7H,1-2H3
InChIKey FSJMBUUZILEQIY-UHFFFAOYSA-N
Mol Weight 217.22 g/mol
Molecular Formula C12H11NO3
Exact Mass 217.073893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9iFNX3WEVxK
Name 4-Methoxy-2H-isoquinolin-1-one, N-acetyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.073893215 u
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c1-8(14)13-7-11(16-2)9-5-3-4-6-10(9)12(13)15/h3-7H,1-2H3
InChIKey FSJMBUUZILEQIY-UHFFFAOYSA-N
Molecular Weight 217.224 g/mol
SMILES C1(N(C=C(C2=C1C=CC=C2)OC)C(=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938998