SpectraBase Spectrum ID |
ASlO934KHFp |
Name |
5,6-bis[2-(3,5-ditert-butylphenyl)ethynyl]pyrazine-2,3-dicarbonitrile |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C38H42N4 |
InChI |
InChI=1S/C38H42N4/c1-35(2,3)27-17-25(18-28(21-27)36(4,5)6)13-15-31-32(42-34(24-40)33(23-39)41-31)16-14-26-19-29(37(7,8)9)22-30(20-26)38(10,11)12/h17-22H,1-12H3 |
InChIKey |
CWTWMEMFFKKFOR-UHFFFAOYSA-N |
Molecular Weight |
554.782 g/mol |
SMILES |
c1(c(nc(c(n1)C#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)C#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)C#N)C#N |
SPLASH |
splash10-0f89-0000970000-386461961b5d6c7df342 |
Source of Spectrum |
K1-2004-1141-3 |
Wiley ID |
1560510 |