| SpectraBase Spectrum ID |
LctudxP9f7J |
| Name |
Copolyester from 1,3-di(2'-hydroxyethylene)tetrabromobenzimidazolone-2, 1,4-dihydroxybutylene, and terephthalic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
841.941253565 u |
| Formula |
C29H38Br4N2O7 |
| InChI |
InChI=1S/C13H14Br4N2O3.C10H10O2.C6H14O2/c1-21-5-3-18-11-9(16)7(14)8(15)10(17)12(11)19(13(18)20)4-6-22-2;1-7(11)9-3-5-10(6-4-9)8(2)12;1-7-5-3-4-6-8-2/h3-6H2,1-2H3;3-6H,1-2H3;3-6H2,1-2H3 |
| InChIKey |
XIXJLEJIZRJZIY-UHFFFAOYSA-N |
| Molecular Weight |
846.246 g/mol |
| Nominal Mass |
842 u |
| SMILES |
C=1C(=CC=C(C1)C(=O)C)C(C)=O.C(N1C2=C(C(=C(C(=C2N(CCOC)C1=O)Br)Br)Br)Br)COC.C(CCCOC)OC |
| Spectrum/Structure Validation Score (Raman) |
0.806748 |
