| SpectraBase Spectrum ID |
A6GMMfAjI64 |
| Name |
3-(4-Bromophenyl)-6-(4-hexyloxyphenyl)-4,4,5,5-tetracyanocyclohex-1-ene |
| Alternate Name(s) |
3-(4-bromophenyl)-6-[4-(hexyloxy)phenyl]-4-cyclohexene-1,1,2,2-tetracarbonitrile |
| 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 |
| Wiley ID |
779156 |
