For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5,6-bis[2-(3,5-ditert-butylphenyl)ethynyl]pyrazine-2,3-dicarbonitrile
SpectraBase Compound ID 5d40442cCEA
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
Mol Weight 554.8 g/mol
Molecular Formula C38H42N4
Exact Mass 554.340947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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