| SpectraBase Spectrum ID |
DTX2X2P79PJ |
| Name |
Poly{ethylene-3,3'-[6,6'-bis(2-benzyl-4-quinazolone)diyl]} |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
526.236876220 u |
| Formula |
C34H30N4O2 |
| InChI |
InChI=1S/C34H30N4O2/c1-3-18-38-32(20-24-12-8-5-9-13-24)36-30-17-15-26(22-28(30)34(38)40)25-14-16-29-27(21-25)33(39)37(2)31(35-29)19-23-10-6-4-7-11-23/h4-17,21-22H,3,18-20H2,1-2H3 |
| InChIKey |
KHKMEUHSLZBVBZ-UHFFFAOYSA-N |
| Molecular Weight |
526.640 g/mol |
| Nominal Mass |
526 u |
| SMILES |
C(N1C(C=2C=C(C=CC2N=C1CC=1C=CC=CC1)C1=CC=2C(N(C(=NC2C=C1)CC=1C=CC=CC1)C)=O)=O)CC |
| Spectrum/Structure Validation Score (Raman) |
0.958261 |
![Poly{ethylene-3,3'-[6,6'-bis(2-benzyl-4-quinazolone)diyl]}](/api/spectrum/DTX2X2P79PJ/structure.png?h=300&w=458 "Poly{ethylene-3,3'-[6,6'-bis(2-benzyl-4-quinazolone)diyl]}")
