| SpectraBase Spectrum ID |
ItCnK91DzUo |
| Name |
[4]-.alpha.-Oxo[3(2)](1,2,3,4,5)ferrocenophane |
| Alternate Name(s) |
1-ferrapentadecacyclo[14.11.0.0(1,6).0(1,7).0(1,11).0(1,12).0(1,17).0(1,22).0(1,23).0(2,11).0(2,22).0(6,16).0(7,27).0(12,23).0(17,27)]heptacosan-13-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H30FeO |
| InChI |
InChI=1S/C26H30O.Fe/c27-25-15-14-22-16-6-1-2-7-23-20-11-3-8-17(16)18-9-4-12-21(20)24(26(23)25)13-5-10-19(18)22;/h1-15H2; |
| InChIKey |
WYVGHMDCPUANRX-UHFFFAOYSA-N |
| Molecular Weight |
414.370 g/mol |
| SMILES |
[C@]123[Fe]456789%10%11[C@@]%12(CCC1=O)[C@@]%111CCCC[C@]38[C@@]43CCC[C@]51[C@]61CCC[C@@]73[C@]2%10CCC[C@]9%121 |
| SPLASH |
splash10-03di-0000900000-796c5742277bdc602517 |
| Source of Spectrum |
AJ-68-642-24 |
| Wiley ID |
773184 |
![[4]-.alpha.-Oxo[3(2)](1,2,3,4,5)ferrocenophane](/api/spectrum/ItCnK91DzUo/structure.png?h=300&w=458 "[4]-.alpha.-Oxo[3(2)](1,2,3,4,5)ferrocenophane")
