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3-(2-Ethoxy-1-phenylethyl)-3-hydroxyisoindolin-1-one

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

3-(2-Ethoxy-1-phenylethyl)-3-hydroxyisoindolin-1-one
SpectraBase Compound ID JRA9QjSFeyF
InChI InChI=1S/C18H19NO3/c1-2-22-12-16(13-8-4-3-5-9-13)18(21)15-11-7-6-10-14(15)17(20)19-18/h3-11,16,21H,2,12H2,1H3,(H,19,20)
InChIKey OPRATWOWVHQOSF-UHFFFAOYSA-N
Mol Weight 297.35 g/mol
Molecular Formula C18H19NO3
Exact Mass 297.136493 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 38NQaDpVbCA
Name 3-(2-Ethoxy-1-phenylethyl)-3-hydroxyisoindolin-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.136493473 u
Formula C18H19NO3
InChI InChI=1S/C18H19NO3/c1-2-22-12-16(13-8-4-3-5-9-13)18(21)15-11-7-6-10-14(15)17(20)19-18/h3-11,16,21H,2,12H2,1H3,(H,19,20)
InChIKey OPRATWOWVHQOSF-UHFFFAOYSA-N
Molecular Weight 297.354 g/mol
SMILES C1(NC(=O)C2=C1C=CC=C2)(C(C1=CC=CC=C1)COCC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.806859