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Methyl 2-cyno-2-(2-oxo-2,3-dihydro-1H-3-indolyl)acetate

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

Methyl 2-cyno-2-(2-oxo-2,3-dihydro-1H-3-indolyl)acetate
SpectraBase Compound ID 5GCNvSEFfGL
InChI InChI=1S/C12H10N2O3/c1-17-12(16)8(6-13)10-7-4-2-3-5-9(7)14-11(10)15/h2-5,8,10H,1H3,(H,14,15)
InChIKey WZPQZLQFLCDWSG-UHFFFAOYSA-N
Mol Weight 230.22 g/mol
Molecular Formula C12H10N2O3
Exact Mass 230.069142 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ImdS38HksGj
Name Methyl 2-cyno-2-(2-oxo-2,3-dihydro-1H-3-indolyl)acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.069142187 u
Formula C12H10N2O3
InChI InChI=1S/C12H10N2O3/c1-17-12(16)8(6-13)10-7-4-2-3-5-9(7)14-11(10)15/h2-5,8,10H,1H3,(H,14,15)
InChIKey WZPQZLQFLCDWSG-UHFFFAOYSA-N
Molecular Weight 230.223 g/mol
SMILES C1(NC2=CC=CC=C2C1C(C(=O)OC)C#N)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904156