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2-Ethyl-3-hydroxy-3-(methoxymethyl)isoindolinone

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

2-Ethyl-3-hydroxy-3-(methoxymethyl)isoindolinone
SpectraBase Compound ID GCazCVx3iD7
InChI InChI=1S/C13H15NO3/c1-3-14-12(16)10-6-4-5-7-11(10)13(14,17)8-9(2)15/h4-7,17H,3,8H2,1-2H3
InChIKey AXKSBVASRKMTDH-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I895zlp5cTF
Name 2-Ethyl-3-hydroxy-3-(methoxymethyl)isoindolinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.105193344 u
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-3-14-12(16)10-6-4-5-7-11(10)13(14,17)8-9(2)15/h4-7,17H,3,8H2,1-2H3
InChIKey AXKSBVASRKMTDH-UHFFFAOYSA-N
Molecular Weight 233.267 g/mol
SMILES C1(N(C(=O)C=2C1=CC=CC2)CC)(CC(=O)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949979