SpectraBase Spectrum ID |
4FQDG2mjM4V |
Name |
(Sp)-[2-(4-Methylphenylsulfanyl)ferrocenyl]-(Sp)-[2-(methylsulfanyl)ferrocenyl]methanone |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C29H26Fe2OS2 |
InChI |
InChI=1S/C19H16OS2.2C5H5.2Fe/c1-13-9-11-14(12-10-13)22-18-8-4-6-16(18)19(20)15-5-3-7-17(15)21-2;2*1-2-4-5-3-1;;/h3-12H,1-2H3;2*1-5H;; |
InChIKey |
KXRGGJOLQWNWHH-UHFFFAOYSA-N |
Molecular Weight |
566.336 g/mol |
SMILES |
C12([Fe]3456789(C1C5C9C23Sc1ccc(cc1)C)C1C6C7C8C41)C(C12[Fe]3456789(C%10C5C7C6C3%10)C2C9C4C18SC)=O |
SPLASH |
splash10-014i-0000190000-fe24d320e8e36bf9e241 |
Source of Spectrum |
U1-2009-2154-7d |
Wiley ID |
1662866 |