| SpectraBase Spectrum ID |
Cf3tyvhiv5S |
| Name |
Polyimidine on the basis of bis(3,3-diphenyl-6-phthalidyl) ketone and 4,4'-diaminodiphenyl sulfone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
812.270878946 u |
| Formula |
C54H40N2O4S |
| InChI |
InChI=1S/C54H40N2O4S/c1-37-23-33-49-47(35-37)51(57)55(53(49,39-15-7-3-8-16-39)40-17-9-4-10-18-40)43-25-29-45(30-26-43)61(59,60)46-31-27-44(28-32-46)56-52(58)48-36-38(2)24-34-50(48)54(56,41-19-11-5-12-20-41)42-21-13-6-14-22-42/h3-36H,1-2H3 |
| InChIKey |
FLMSUBFHVLQRLX-UHFFFAOYSA-N |
| Molecular Weight |
812.984 g/mol |
| Nominal Mass |
812 u |
| SMILES |
S(=O)(=O)(C1=CC=C(C=C1)N1C(C2=C(C1=O)C=C(C=C2)C)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(C=C1)N1C(C2=C(C1(C1=CC=CC=C1)C1=CC=CC=C1)C=CC(=C2)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.710391 |
