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3-(4-Methoxy-3-nitrophenyl)-3-oxopropanenitrile

View entire compound with spectra: 1 FTIR

3-(4-Methoxy-3-nitrophenyl)-3-oxopropanenitrile
SpectraBase Compound ID IGrWwnuym2d
InChI InChI=1S/C10H8N2O4/c1-16-10-3-2-7(9(13)4-5-11)6-8(10)12(14)15/h2-3,6H,4H2,1H3
InChIKey WMUSLUFSIIENJD-UHFFFAOYSA-N
Mol Weight 220.18 g/mol
Molecular Formula C10H8N2O4
Exact Mass 220.048407 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6M04zQH7gl0
Name 3-(4-Methoxy-3-nitrophenyl)-3-oxopropanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.048406742 u
Formula C10H8N2O4
InChI InChI=1S/C10H8N2O4/c1-16-10-3-2-7(9(13)4-5-11)6-8(10)12(14)15/h2-3,6H,4H2,1H3
InChIKey WMUSLUFSIIENJD-UHFFFAOYSA-N
Molecular Weight 220.184 g/mol
SMILES C1=C(C=C(C(=C1)OC)N(=O)=O)C(CC#N)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967522