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(E)-1-(4-Nitrobut-3-en-1-yn-1-yl)-4-(trifluoromethyl)benzene

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

(E)-1-(4-Nitrobut-3-en-1-yn-1-yl)-4-(trifluoromethyl)benzene
SpectraBase Compound ID 6WlWTnpNfzE
InChI InChI=1S/C11H6F3NO2/c12-11(13,14)10-6-4-9(5-7-10)3-1-2-8-15(16)17/h2,4-8H/b8-2+
InChIKey SGPIIVMQVCIYRS-KRXBUXKQSA-N
Mol Weight 241.17 g/mol
Molecular Formula C11H6F3NO2
Exact Mass 241.035063 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I2oeeRxqoUw
Name (E)-1-(4-Nitrobut-3-en-1-yn-1-yl)-4-(trifluoromethyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.035062924 u
Formula C11H6F3NO2
InChI InChI=1S/C11H6F3NO2/c12-11(13,14)10-6-4-9(5-7-10)3-1-2-8-15(16)17/h2,4-8H/b8-2+
InChIKey SGPIIVMQVCIYRS-KRXBUXKQSA-N
Molecular Weight 241.169 g/mol
SMILES C=1C=C(C=CC1C(F)(F)F)C#C\C=C\[N+](=O)[O-]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952288