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3-Benzyl-3-hydroxy-2-propan-2-ylisoindol-1-one

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

3-Benzyl-3-hydroxy-2-propan-2-ylisoindol-1-one
SpectraBase Compound ID FogUCNlDZhs
InChI InChI=1S/C18H19NO2/c1-13(2)19-17(20)15-10-6-7-11-16(15)18(19,21)12-14-8-4-3-5-9-14/h3-11,13,21H,12H2,1-2H3
InChIKey TUBHBNYYRFJRFA-UHFFFAOYSA-N
Mol Weight 281.35 g/mol
Molecular Formula C18H19NO2
Exact Mass 281.141579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ImcjbkIUK7m
Name 3-Benzyl-3-hydroxy-2-propan-2-ylisoindol-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.141578854 u
Formula C18H19NO2
InChI InChI=1S/C18H19NO2/c1-13(2)19-17(20)15-10-6-7-11-16(15)18(19,21)12-14-8-4-3-5-9-14/h3-11,13,21H,12H2,1-2H3
InChIKey TUBHBNYYRFJRFA-UHFFFAOYSA-N
SMILES C1(N(C(C=2C=CC=CC12)=O)C(C)C)(CC=1C=CC=CC1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.834046