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3-Acetonyl-1-acetyl-indol-2(3H)-one

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

3-Acetonyl-1-acetyl-indol-2(3H)-one
SpectraBase Compound ID 957pgDNmQHL
InChI InChI=1S/C13H13NO3/c1-8(15)7-11-10-5-3-4-6-12(10)14(9(2)16)13(11)17/h3-6,11H,7H2,1-2H3
InChIKey FKUSBRZABPEDDK-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5XOnjVhKPGF
Name 2H-Indol-2-one, 1-acetyl-1,3-dihydro-3-(2-oxopropyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.089543280 u
Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c1-8(15)7-11-10-5-3-4-6-12(10)14(9(2)16)13(11)17/h3-6,11H,7H2,1-2H3
InChIKey FKUSBRZABPEDDK-UHFFFAOYSA-N
Molecular Weight 231.251 g/mol
SMILES C1(N(C2=C(C1CC(=O)C)C=CC=C2)C(=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971295