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3,6-Dimethyl-3-(3-oxidanylidenebutyl)-1H-indol-2-one

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

3,6-Dimethyl-3-(3-oxidanylidenebutyl)-1H-indol-2-one
SpectraBase Compound ID 4HrmKCCOxFy
InChI InChI=1S/C14H17NO2/c1-9-4-5-11-12(8-9)15-13(17)14(11,3)7-6-10(2)16/h4-5,8H,6-7H2,1-3H3,(H,15,17)
InChIKey VOZWELRZVPAHMX-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CTdESa1snsj
Name 3,6-Dimethyl-3-(3-oxidanylidenebutyl)-1H-indol-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.125928789 u
Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c1-9-4-5-11-12(8-9)15-13(17)14(11,3)7-6-10(2)16/h4-5,8H,6-7H2,1-3H3,(H,15,17)
InChIKey VOZWELRZVPAHMX-UHFFFAOYSA-N
Molecular Weight 231.295 g/mol
SMILES C1(C(C=2C=CC(=CC2N1)C)(CCC(=O)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963285