SpectraBase Spectrum ID |
8p25M9sh9V1 |
Name |
(Sp)-[2-(Isopropylsulfanyl)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 |
C25H26Fe2OS2 |
InChI |
InChI=1S/C15H16OS2.2C5H5.2Fe/c1-10(2)18-14-9-5-7-12(14)15(16)11-6-4-8-13(11)17-3;2*1-2-4-5-3-1;;/h4-10H,1-3H3;2*1-5H;; |
InChIKey |
ROBWVNGNKCGBAE-UHFFFAOYSA-N |
Molecular Weight |
518.292 g/mol |
SMILES |
C12([Fe]3456789(C2C5C4C13SC(C)C)C1C6C7C8C91)C(C12[Fe]3456789(C%10C7C6C5C3%10)C1C9C4C28SC)=O |
SPLASH |
splash10-014i-0000090000-ac788e2b2c1143b4cb79 |
Source of Spectrum |
U1-2009-2154-7e |
Wiley ID |
1662865 |