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

*Links on SpectraBase are not permalinks.
3-(4-Bromophenyl)-6-(4-hexyloxyphenyl)-4,4,5,5-tetracyanocyclohex-1-ene
SpectraBase Compound ID Fnfe1ir7w6P
InChI InChI=1S/C28H25BrN4O/c1-2-3-4-5-16-34-24-12-8-22(9-13-24)26-15-14-25(21-6-10-23(29)11-7-21)27(17-30,18-31)28(26,19-32)20-33/h6-15,25-26H,2-5,16H2,1H3
InChIKey MAADKJRKXXUUOS-UHFFFAOYSA-N
Mol Weight 513.44 g/mol
Molecular Formula C28H25BrN4O
Exact Mass 512.121174 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 A6GMMfAjI64
Name 3-(4-Bromophenyl)-6-(4-hexyloxyphenyl)-4,4,5,5-tetracyanocyclohex-1-ene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H25BrN4O
InChI InChI=1S/C28H25BrN4O/c1-2-3-4-5-16-34-24-12-8-22(9-13-24)26-15-14-25(21-6-10-23(29)11-7-21)27(17-30,18-31)28(26,19-32)20-33/h6-15,25-26H,2-5,16H2,1H3
InChIKey MAADKJRKXXUUOS-UHFFFAOYSA-N
Molecular Weight 513.439 g/mol
SMILES C1=CC(C(C(C1c1ccc(cc1)OCCCCCC)(C#N)C#N)(C#N)C#N)c1ccc(cc1)Br
SPLASH splash10-000i-0009030000-d84d0263ae6ca0147584
Source of Spectrum KC-1993-779-0
Synonyms 3-(4-bromophenyl)-6-[4-(hexyloxy)phenyl]-4-cyclohexene-1,1,2,2-tetracarbonitrile
Wiley ID 779156