| SpectraBase Spectrum ID |
3iZSZIckUUq |
| Name |
1,4-Benzenediacetonitrile, .alpha.,.alpha.'-bis[[4-(dipropylamino)phenyl]methylene]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
530.340947368 u |
| Formula |
C36H42N4 |
| InChI |
InChI=1S/C36H42N4/c1-5-21-39(22-6-2)35-17-9-29(10-18-35)25-33(27-37)31-13-15-32(16-14-31)34(28-38)26-30-11-19-36(20-12-30)40(23-7-3)24-8-4/h9-20,25-26H,5-8,21-24H2,1-4H3/b33-25+,34-26+ |
| InChIKey |
MOUSAQKQYRBEQY-BCEWYCLDSA-N |
| Molecular Weight |
530.760 g/mol |
| SMILES |
CCCN(CCC)C1=CC=C(\C=C/(C#N)C2=CC=C(C=C2)\C(=C\C2=CC=C(C=C2)N(CCC)CCC)C#N)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924237 |
![1,4-Benzenediacetonitrile, .alpha.,.alpha.'-bis[[4-(dipropylamino)phenyl]methylene]-](/api/spectrum/3iZSZIckUUq/structure.png?h=300&w=458 "1,4-Benzenediacetonitrile, .alpha.,.alpha.'-bis[[4-(dipropylamino)phenyl]methylene]-")
