| SpectraBase Spectrum ID |
8E3ejcof7lH |
| Name |
2,4,6-Tris(4'-ethynylbenzonitrile)-toluene |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.142247559 u |
| Formula |
C34H17N3 |
| InChI |
InChI=1S/C34H17N3/c1-25-33(18-16-27-4-11-30(23-36)12-5-27)20-32(15-8-26-2-9-29(22-35)10-3-26)21-34(25)19-17-28-6-13-31(24-37)14-7-28/h2-7,9-14,20-21H,1H3 |
| InChIKey |
NRVDVLFHORHJCX-UHFFFAOYSA-N |
| Molecular Weight |
467.531 g/mol |
| SMILES |
C(C1=C(C(C#CC2=CC=C(C#N)C=C2)=CC(C#CC=2C=CC(C#N)=CC2)=C1)C)#CC=1C=CC(C#N)=CC1 |
