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 |