| SpectraBase Spectrum ID |
9nvTHoIIVFc |
| Name |
Iron, (benzenecarbothioato-S)dicarbonyl(.eta.5-2,4-cyclopentadien-1-yl)- |
| Alternate Name(s) |
.pi.-cyclopentadienyl-benzoylthio-dicarbonyl iron
{[1-(benzoylsulfanyl)-1-(oxidaniumylidynemethyl)-1-ferrapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexa-2,4-dien-1-yl]methylidyne}oxidanium |
| CAS Registry Number |
55125-27-4 |
| Comments |
Note: The molecular formula of the structure shown is C14H6FeO3S - which differs from the formula reported for the mass spectrum (C14H10FeO3S) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H10FeO3S |
| InChI |
InChI=1S/C7H6OS.C5H.2CO.Fe/c8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1;2*1-2;/h1-5H,(H,8,9);1H;;;/q;;3*+1/p-1 |
| InChIKey |
YSYKRGTYJQPXKH-UHFFFAOYSA-M |
| Molecular Weight |
310.104 g/mol |
| SMILES |
C(S[Fe]1234(C#[O+])(C#[O+])C5C4=C1C2=C35)(=O)c1ccccc1 |
| SPLASH |
splash10-000i-6900000000-319cdc9c907f7d1b386b |
| Source of Spectrum |
AD-0-2788-0 |
| Wiley ID |
46736 |
