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Benzene, 1-(difluoroisocyanatomethyl)-4-nitro-

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

Benzene, 1-(difluoroisocyanatomethyl)-4-nitro-
SpectraBase Compound ID EYqa8dLOY9k
InChI InChI=1S/C8H4F2N2O3/c9-8(10,11-5-13)6-1-3-7(4-2-6)12(14)15/h1-4H
InChIKey XPZKVTFKOFXCAE-UHFFFAOYSA-N
Mol Weight 214.13 g/mol
Molecular Formula C8H4F2N2O3
Exact Mass 214.018998 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ohnCxb1YhS
Name Benzene, 1-(difluoroisocyanatomethyl)-4-nitro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.018998320 u
Formula C8H4F2N2O3
InChI InChI=1S/C8H4F2N2O3/c9-8(10,11-5-13)6-1-3-7(4-2-6)12(14)15/h1-4H
InChIKey XPZKVTFKOFXCAE-UHFFFAOYSA-N
Molecular Weight 214.128 g/mol
SMILES C(N=C=O)(F)(F)C1=CC=C(C=C1)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977791