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1-Bromo-3-nitro-5-(2,2,2-trifluoroethoxy)benzene

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1-Bromo-3-nitro-5-(2,2,2-trifluoroethoxy)benzene
SpectraBase Compound ID 4zRawTJfSBl
InChI InChI=1S/C8H5BrF3NO3/c9-5-1-6(13(14)15)3-7(2-5)16-4-8(10,11)12/h1-3H,4H2
InChIKey MTNGQCNCWQGCMG-UHFFFAOYSA-N
Mol Weight 300.03 g/mol
Molecular Formula C8H5BrF3NO3
Exact Mass 298.940491 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KiBSRYPcrpq
Name 1-Bromo-3-nitro-5-(2,2,2-trifluoroethoxy)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.940490511 u
Formula C8H5BrF3NO3
InChI InChI=1S/C8H5BrF3NO3/c9-5-1-6(13(14)15)3-7(2-5)16-4-8(10,11)12/h1-3H,4H2
InChIKey MTNGQCNCWQGCMG-UHFFFAOYSA-N
Molecular Weight 300.031 g/mol
SMILES C1=C(C=C(C=C1OCC(F)(F)F)Br)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960596