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4,6-Ditert-butyl-7-hydroxy-3-indolone

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

4,6-Ditert-butyl-7-hydroxy-3-indolone
SpectraBase Compound ID DWgDNT7qu4b
InChI InChI=1S/C16H21NO2/c1-15(2,3)9-7-10(16(4,5)6)14(19)13-12(9)11(18)8-17-13/h7-8,19H,1-6H3
InChIKey QGBXNWHEFXVALC-UHFFFAOYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C16H21NO2
Exact Mass 259.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DkCpPFsb8pQ
Name 4,6-Ditert-butyl-7-hydroxy-3-indolone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.157228918 u
Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-15(2,3)9-7-10(16(4,5)6)14(19)13-12(9)11(18)8-17-13/h7-8,19H,1-6H3
InChIKey QGBXNWHEFXVALC-UHFFFAOYSA-N
Molecular Weight 259.349 g/mol
SMILES C1=NC=2C(=C(C=C(C2C1=O)C(C)(C)C)C(C)(C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951792