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7-Acetoxy-4-methylquinolin-2(1H)-one

View entire compound with spectra: 1 NMR, and 1 FTIR

7-Acetoxy-4-methylquinolin-2(1H)-one
SpectraBase Compound ID 4TSp4ii2imG
InChI InChI=1S/C12H11NO3/c1-7-5-12(15)13-11-6-9(16-8(2)14)3-4-10(7)11/h3-6H,1-2H3,(H,13,15)
InChIKey MJUQZIOCDRSGDY-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 KLpLXbMb3ld
Name 7-Acetoxy-4-methylquinolin-2(1H)-one
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/c1-7-5-12(15)13-11-6-9(16-8(2)14)3-4-10(7)11/h3-6H,1-2H3,(H,13,15)
InChIKey MJUQZIOCDRSGDY-UHFFFAOYSA-N
Molecular Weight 217.224 g/mol
SMILES C1=2NC(C=C(C1=CC=C(C2)OC(C)=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.845035