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(E)-1-Nitro-4-(3,3,3-trifluoroprop-1-en-1-yl)-benzene

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

(E)-1-Nitro-4-(3,3,3-trifluoroprop-1-en-1-yl)-benzene
SpectraBase Compound ID 1KdgJ29Ti9P
InChI InChI=1S/C9H6F3NO2/c10-9(11,12)6-5-7-1-3-8(4-2-7)13(14)15/h1-6H/b6-5+
InChIKey WGVJEEXBVPTTFU-AATRIKPKSA-N
Mol Weight 217.15 g/mol
Molecular Formula C9H6F3NO2
Exact Mass 217.035063 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KdrkwqqEkAG
Name (E)-1-Nitro-4-(3,3,3-trifluoroprop-1-en-1-yl)-benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.035062924 u
Formula C9H6F3NO2
InChI InChI=1S/C9H6F3NO2/c10-9(11,12)6-5-7-1-3-8(4-2-7)13(14)15/h1-6H/b6-5+
InChIKey WGVJEEXBVPTTFU-AATRIKPKSA-N
Molecular Weight 217.147 g/mol
SMILES C1(N(=O)=O)=CC=C(C=C1)\C=C\C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893572