| SpectraBase Spectrum ID |
FczYxi6MBVw |
| Name |
2,4,6-tris(4'-Ethynylbenzonitrile)-toluene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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(c1c(c(C#Cc2ccc(C#N)cc2)cc(C#Cc2ccc(C#N)cc2)c1)C)#Cc1ccc(C#N)cc1 |
| SPLASH |
splash10-014i-0000900000-e25cacf2329ccc1e300f |
| Source of Spectrum |
C-121-8207-2 |
| Wiley ID |
1700264 |
