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bis(4-Iodo-2-nitrophenyl)methane
SpectraBase Compound ID 4GMhRwragUY
InChI InChI=1S/C13H8I2N2O4/c14-10-3-1-8(12(6-10)16(18)19)5-9-2-4-11(15)7-13(9)17(20)21/h1-4,6-7H,5H2
InChIKey SCJKFZVYCPRQEH-UHFFFAOYSA-N
Mol Weight 510.03 g/mol
Molecular Formula C13H8I2N2O4
Exact Mass 509.857347 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7tXb765SZeh
Name bis(4-Iodo-2-nitrophenyl)methane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 509.857346742 u
Formula C13H8I2N2O4
InChI InChI=1S/C13H8I2N2O4/c14-10-3-1-8(12(6-10)16(18)19)5-9-2-4-11(15)7-13(9)17(20)21/h1-4,6-7H,5H2
InChIKey SCJKFZVYCPRQEH-UHFFFAOYSA-N
Molecular Weight 510.026 g/mol
SMILES C=1C(I)=CC(=C(C1)CC1=CC=C(C=C1N(=O)=O)I)N(=O)=O
Spectrum/Structure Validation Score (Raman) 0.932522