| SpectraBase Spectrum ID |
DI9kYAsKDyD |
| Name |
4-(6-Trityloxy-hexyloxy)-phthalonitril |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
486.230728212 u |
| Formula |
C33H30N2O2 |
| InChI |
InChI=1S/C33H30N2O2/c34-25-27-20-21-32(24-28(27)26-35)36-22-12-1-2-13-23-37-33(29-14-6-3-7-15-29,30-16-8-4-9-17-30)31-18-10-5-11-19-31/h3-11,14-21,24H,1-2,12-13,22-23H2 |
| InChIKey |
ASRCGXRFKXDWDC-UHFFFAOYSA-N |
| Molecular Weight |
486.615 g/mol |
| SMILES |
C1=CC(=CC=C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)OCCCCCCOC1=CC=C(C(=C1)C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826524 |
