| SpectraBase Spectrum ID |
3vYV8F1G6Ap |
| Name |
[PD-(ETA(3)-PH-CH-CH-CH-PH)-[1-[(S)-1-[(R)-2-(DIPHENYLPHOSPHINO)-FERROCENYL]-ETHYL]-3-(9-ANTHRYL)-5-METHYL-1H-PYRAZOLE]]-[BF4];EXO-SYN-SYN-ISOMER |
| Compound Number |
4J |
| Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C57H39BF4FeN2PPd |
| InChI |
InChI=1S/C37H28N2P.C15H11.C5H.BF4.Fe.Pd/c1-26-24-35(37-33-20-11-9-14-28(33)25-29-15-10-12-21-34(29)37)38-39(26)27(2)32-22-13-23-36(32)40(30-16-5-3-6-17-30)31-18-7-4-8-19-31;1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;1-2-4-5-3-1;2-1(3,4)5;;/h3-12,14-21,24-25,27,40H,1-2H3;1-6,8-12H;1H;;;/q+1;;;-1;;/t27-;;;;;/m0...../s1 |
| InChIKey |
XLDQHILAHYEVQC-IYQGNMQNSA-N |
| Literature Reference Author |
A.TOGNI,U.BURCKHARDT,V.GRAMLICH,P.S.PREGOSIN,R.SALZMANN |
| Literature Reference Citation |
J.AM.CHEM.SOC.,118,1031(1996) |
| Literature Reference DOI |
10.1021/ja953031g |
| Molecular Weight |
1031.994 g/mol |
| Sample ID |
38407 |
| Solvent |
THF-D8 |
![[PD-(ETA(3)-PH-CH-CH-CH-PH)-[1-[(S)-1-[(R)-2-(DIPHENYLPHOSPHINO)-FERROCENYL]-ETHYL]-3-(9-ANTHRYL)-5-METHYL-1H-PYRAZOLE]]-[BF4];EXO-SYN-ANTI-ISOMER](/api/spectrum/3vYV8F1G6Ap/structure.png?h=300&w=458 "[PD-(ETA(3)-PH-CH-CH-CH-PH)-[1-[(S)-1-[(R)-2-(DIPHENYLPHOSPHINO)-FERROCENYL]-ETHYL]-3-(9-ANTHRYL)-5-METHYL-1H-PYRAZOLE]]-[BF4];EXO-SYN-ANTI-ISOMER")
