| SpectraBase Spectrum ID |
43CgSyzgIa |
| Name |
Tricarbonyl[2-exo-methyl[(2-5)-3-(phenylsulfonyl)-2,4-cyclohexadienyl]cyclohexanone]iron |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20FeO6S |
| InChI |
InChI=1S/C18H20O3S.3CO.Fe/c19-18-12-5-4-11-17(18)14-7-6-10-16(13-14)22(20,21)15-8-2-1-3-9-15;3*1-2;/h1-3,6,8-10,13-14,17H,4-5,7,11-12H2;;;;/t14-,17?;;;;/m1..../s1 |
| InChIKey |
YQFRBIJJCRLVHB-BAKFDYJESA-N |
| Molecular Weight |
456.290 g/mol |
| SMILES |
C12[Fe](C1C[C@](C=C2S(=O)(=O)c1ccccc1)(C1C(=O)CCCC1)[H])(C#[O])(C#[O])C#[O] |
| SPLASH |
splash10-008a-1292000000-12a2cb6c2701b78b40c6 |
| Source of Spectrum |
AG-555-227-0 |
| Wiley ID |
1389192 |
![Tricarbonyl[2-exo-methyl[(2-5)-3-(phenylsulfonyl)-2,4-cyclohexadienyl]cyclohexanone]iron](/api/spectrum/43CgSyzgIa/structure.png?h=300&w=458 "Tricarbonyl[2-exo-methyl[(2-5)-3-(phenylsulfonyl)-2,4-cyclohexadienyl]cyclohexanone]iron")
