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3-Ethyl-1-methyl-4-nitro-3H-indol-2-one

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

3-Ethyl-1-methyl-4-nitro-3H-indol-2-one
SpectraBase Compound ID GMPNDHp5AzC
InChI InChI=1S/C11H12N2O3/c1-3-7-10-8(12(2)11(7)14)5-4-6-9(10)13(15)16/h4-7H,3H2,1-2H3
InChIKey WDKYOWXDUYYUGA-UHFFFAOYSA-N
Mol Weight 220.23 g/mol
Molecular Formula C11H12N2O3
Exact Mass 220.084792 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7uO3MrluwOS
Name 3-Ethyl-1-methyl-4-nitro-3H-indol-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.084792251 u
Formula C11H12N2O3
InChI InChI=1S/C11H12N2O3/c1-3-7-10-8(12(2)11(7)14)5-4-6-9(10)13(15)16/h4-7H,3H2,1-2H3
InChIKey WDKYOWXDUYYUGA-UHFFFAOYSA-N
Molecular Weight 220.228 g/mol
SMILES C12=C(N(C)C(C2CC)=O)C=CC=C1N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835097