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2-(4-Bromanyl-2-nitro-5-prop-2-enoxy-phenyl)ethanenitrile

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

2-(4-Bromanyl-2-nitro-5-prop-2-enoxy-phenyl)ethanenitrile
SpectraBase Compound ID G3eNTIAhUt5
InChI InChI=1S/C11H9BrN2O3/c1-2-5-17-11-6-8(3-4-13)10(14(15)16)7-9(11)12/h2,6-7H,1,3,5H2
InChIKey YQNSKIUFULNEIZ-UHFFFAOYSA-N
Mol Weight 297.11 g/mol
Molecular Formula C11H9BrN2O3
Exact Mass 295.979655 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2tGGSY02p8p
Name 2-(4-Bromanyl-2-nitro-5-prop-2-enoxy-phenyl)ethanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.979655155 u
Formula C11H9BrN2O3
InChI InChI=1S/C11H9BrN2O3/c1-2-5-17-11-6-8(3-4-13)10(14(15)16)7-9(11)12/h2,6-7H,1,3,5H2
InChIKey YQNSKIUFULNEIZ-UHFFFAOYSA-N
Molecular Weight 297.108 g/mol
SMILES C=1(N(=O)=O)C=C(Br)C(=CC1CC#N)OCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853249