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2-(2-(3-Methoxyphenyl)-2-oxoethyl)malononitrile

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

2-(2-(3-Methoxyphenyl)-2-oxoethyl)malononitrile
SpectraBase Compound ID B7IPM18tiwS
InChI InChI=1S/C12H10N2O2/c1-16-11-4-2-3-10(6-11)12(15)5-9(7-13)8-14/h2-4,6,9H,5H2,1H3
InChIKey DTDVMQRYGJEBTH-UHFFFAOYSA-N
Mol Weight 214.22 g/mol
Molecular Formula C12H10N2O2
Exact Mass 214.074228 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8vnvX3pDtGI
Name 2-(2-(3-Methoxyphenyl)-2-oxoethyl)malononitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.074227568 u
Formula C12H10N2O2
InChI InChI=1S/C12H10N2O2/c1-16-11-4-2-3-10(6-11)12(15)5-9(7-13)8-14/h2-4,6,9H,5H2,1H3
InChIKey DTDVMQRYGJEBTH-UHFFFAOYSA-N
Molecular Weight 214.224 g/mol
SMILES C1(=CC(=CC=C1)C(=O)CC(C#N)C#N)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.832054