| SpectraBase Spectrum ID |
6S8Toldn5ZI |
| Name |
Macrocyclic[tetra(phen-1,2-diyl)bis(ethdiyl)bis(guanidine)] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.253194990 u |
| Formula |
C30H30N6 |
| InChI |
InChI=1S/C30H30N6/c31-29-33-25-13-5-1-9-21(25)17-18-22-10-2-6-14-26(22)35-30(32)36-28-16-8-4-12-24(28)20-19-23-11-3-7-15-27(23)34-29/h1-16H,17-20H2,(H3,31,33,34)(H3,32,35,36) |
| InChIKey |
BKHPZOGMNLHUIH-UHFFFAOYSA-N |
| Molecular Weight |
474.612 g/mol |
| SMILES |
C1=2\N=C\(NC3=C(CCC4=C(N\C(=N\C5=C(CCC2C=CC=C1)C=CC=C5)N)C=CC=C4)C=CC=C3)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964352 |
![Macrocyclic[tetra(phen-1,2-diyl)bis(ethdiyl)bis(guanidine)]](/api/spectrum/6S8Toldn5ZI/structure.png?h=300&w=458 "Macrocyclic[tetra(phen-1,2-diyl)bis(ethdiyl)bis(guanidine)]")
