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

*Links on SpectraBase are not permalinks.
4,5-bis[(p-Neopentoxyphenyl)ethynyl]-phthalonitrile
SpectraBase Compound ID Lr7L2bn1Nev
InChI InChI=1S/C34H32N2O2/c1-33(2,3)23-37-31-15-9-25(10-16-31)7-13-27-19-29(21-35)30(22-36)20-28(27)14-8-26-11-17-32(18-12-26)38-24-34(4,5)6/h9-12,15-20H,23-24H2,1-6H3
InChIKey UWQLINNWMJJFAZ-UHFFFAOYSA-N
Mol Weight 500.6 g/mol
Molecular Formula C34H32N2O2
Exact Mass 500.246378 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 AoYsxo766Uv
Name 4,5-bis[(p-Neopentoxyphenyl)ethynyl]-phthalonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H32N2O2
InChI InChI=1S/C34H32N2O2/c1-33(2,3)23-37-31-15-9-25(10-16-31)7-13-27-19-29(21-35)30(22-36)20-28(27)14-8-26-11-17-32(18-12-26)38-24-34(4,5)6/h9-12,15-20H,23-24H2,1-6H3
InChIKey UWQLINNWMJJFAZ-UHFFFAOYSA-N
Molecular Weight 500.642 g/mol
SMILES C(#Cc1ccc(OCC(C)(C)C)cc1)c1c(C#Cc2ccc(OCC(C)(C)C)cc2)cc(c(c1)C#N)C#N
SPLASH splash10-0ik9-0009070000-e02d4436b25065ef2924
Source of Spectrum I-79-885-17
Synonyms 4,5-bis{[4-(neopentyloxy)phenyl]ethynyl}phthalonitrile
Wiley ID 813054