| SpectraBase Spectrum ID |
u5zmmPU3gD |
| Name |
1,1',1'',1''',1'''',1''''-[2,2'-(p-phenylenedimethylene)di-S-phenenyl]hexapyrrolidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
672.487945956 u |
| Formula |
C44H60N6 |
| InChI |
InChI=1S/C44H60N6/c1-2-18-45(17-1)37-31-41(47-21-5-6-22-47)39(42(32-37)48-23-7-8-24-48)29-35-13-15-36(16-14-35)30-40-43(49-25-9-10-26-49)33-38(46-19-3-4-20-46)34-44(40)50-27-11-12-28-50/h13-16,31-34H,1-12,17-30H2 |
| InChIKey |
XVDSRILIIVICTL-UHFFFAOYSA-N |
| Molecular Weight |
673.006 g/mol |
| SMILES |
C=1C(=CC=C(C1)CC=1C(=CC(=CC1N1CCCC1)N1CCCC1)N1CCCC1)CC=1C(=CC(=CC1N1CCCC1)N1CCCC1)N1CCCC1 |
| Spectrum/Structure Validation Score (Raman) |
0.888265 |
![1,1',1'',1''',1'''',1''''-[2,2'-(p-phenylenedimethylene)di-S-phenenyl]hexapyrrolidine](/api/spectrum/u5zmmPU3gD/structure.png?h=300&w=458 "1,1',1'',1''',1'''',1''''-[2,2'-(p-phenylenedimethylene)di-S-phenenyl]hexapyrrolidine")
