| SpectraBase Spectrum ID |
7s0Yubc3GOS |
| Name |
[(ETA-(6)-PARA-CYMENE-[(ETA-(5)-C5H5)-(MY-ETA-(5):KAPPA-(1)-C5H4-(CH2)2-PPH2)_TICL2]_RUCL]-(BF4);MAJOR_ISOMER |
| Compound Number |
13'*BF4 |
| Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C34H33BCl3F4PRuTi |
| InChI |
InChI=1S/C19H17P.C10H13.C5H3.BF4.3ClH.Ru.Ti/c1-3-11-18(12-4-1)20(19-13-5-2-6-14-19)16-15-17-9-7-8-10-17;1-8(2)10-6-4-9(3)5-7-10;1-2-4-5-3-1;2-1(3,4)5;;;;;/h1-9,11-14H,15-16H2;4,6-8H,1-3H3;1-2,5H;;3*1H;;/q;;;-1;;;;+1;+2/p-2 |
| InChIKey |
FFNYEXROFVBAJT-UHFFFAOYSA-L |
| Literature Reference Author |
F.PELLETIER,V.COMTE,A.MASSARD,M.WENZEL,S.TOULOT,P.RICHARD,M.
PICQUET,P.LEGENDRE,O |
| Literature Reference Citation |
J.MED.CHEM.,53,6923(2010) |
| Literature Reference DOI |
10.1021/jm1004804 |
| Solvent |
CD2Cl2 |
| Source File Reference |
UWMZ40507 |
![[(ETA-(6)-PARA-CYMENE-[(ETA-(5)-C5H5)-(MY-ETA-(5):KAPPA-(1)-C5H4-(CH2)2-PPH2)_TICL2]_RUCL]-(BF4);MAJOR_ISOMER](/api/spectrum/7s0Yubc3GOS/structure.png?h=300&w=458 "[(ETA-(6)-PARA-CYMENE-[(ETA-(5)-C5H5)-(MY-ETA-(5):KAPPA-(1)-C5H4-(CH2)2-PPH2)_TICL2]_RUCL]-(BF4);MAJOR_ISOMER")
