| SpectraBase Spectrum ID |
45iK77znlo |
| Name |
4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]benzene-1,2-dicarbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H44N2 |
| InChI |
InChI=1S/C40H44N2/c1-37(2,3)33-17-27(18-34(23-33)38(4,5)6)13-15-29-21-31(25-41)32(26-42)22-30(29)16-14-28-19-35(39(7,8)9)24-36(20-28)40(10,11)12/h17-24H,1-12H3 |
| InChIKey |
JQXFIOHFRLFYLA-UHFFFAOYSA-N |
| Molecular Weight |
552.806 g/mol |
| SMILES |
C(#Cc1cc(C(C)(C)C)cc(c1)C(C)(C)C)c1c(C#Cc2cc(C(C)(C)C)cc(c2)C(C)(C)C)cc(c(c1)C#N)C#N |
| SPLASH |
splash10-0zfr-6000090000-67f3acc5ee5d708ca370 |
| Source of Spectrum |
KC-0-3751-9 |
| Synonyms |
4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]phthalonitrile |
| Wiley ID |
832035 |
![4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]benzene-1,2-dicarbonitrile](/api/spectrum/45iK77znlo/structure.png?h=300&w=458 "4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]benzene-1,2-dicarbonitrile")
