SpectraBase Spectrum ID |
3Gmzd204BCh |
Name |
Poly[N,N'-(4,4'-methylenediphenylene)di(N-allyl-4-phthalimidecarboxamide)] |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
684.294785018 u |
Formula |
C41H40N4O6 |
InChI |
InChI=1S/C41H40N4O6/c1-5-24(3)22-44-38(48)32-17-11-28(20-34(32)40(44)50)36(46)42-30-13-7-26(8-14-30)19-27-9-15-31(16-10-27)43-37(47)29-12-18-33-35(21-29)41(51)45(39(33)49)23-25(4)6-2/h7-18,20-21,24-25H,5-6,19,22-23H2,1-4H3,(H,42,46)(H,43,47) |
InChIKey |
JVGBKJVAQNWSRG-UHFFFAOYSA-N |
Molecular Weight |
684.793 g/mol |
Nominal Mass |
684 u |
SMILES |
C(C(CC)C)N1C(C=2C=C(C(NC3=CC=C(C=C3)CC3=CC=C(NC(C=4C=C5C(N(C(C5=CC4)=O)CC(CC)C)=O)=O)C=C3)=O)C=CC2C1=O)=O |
Spectrum/Structure Validation Score (Raman) |
0.952173 |