| SpectraBase Spectrum ID |
7udDxKS4Nw |
| Name |
Polyamide on the basis of 4,6-dibromo-1,3-phenylenediamine and isophthalic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.942203697 u |
| Formula |
C16H14Br2N2O2 |
| InChI |
InChI=1S/C16H14Br2N2O2/c1-9(21)10-4-3-5-11(6-10)16(22)20-15-8-14(19-2)12(17)7-13(15)18/h3-8,19H,1-2H3,(H,20,22) |
| InChIKey |
IUSMLUNVVBQTTI-UHFFFAOYSA-N |
| Molecular Weight |
426.108 g/mol |
| Nominal Mass |
424 u |
| SMILES |
N(C=1C(=CC(=C(C1)NC)Br)Br)C(C1=CC=CC(=C1)C(=O)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.891176 |
