![3,11-Dithiatricyclo[11.2.2.15,9]octadecane, chromium deriv.](/api/spectrum/JlE6Lpewp7R/structure.png?h=300&w=458 "3,11-Dithiatricyclo[11.2.2.15,9]octadecane, chromium deriv.")
| SpectraBase Compound ID | Gp9klcBKzHU |
|---|---|
| InChI | InChI=1S/C16H14F2S2.4CO.Cr/c17-15-11-4-2-1-3-5-19-9-13-6-12(15)7-14(16(13)18)10-20-8-11;4*1-2;/h1-4,6-7H,5,8-10H2;;;;;/b3-1+,4-2+,15-11-;;;;; |
| InChIKey | JUIXDSFZYUMJHY-AATXAUELSA-N |
| Mol Weight | 474.46 g/mol |
| Molecular Formula | C20H16CrF2O4S2 |
| Exact Mass | 473.986313 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JlE6Lpewp7R |
|---|---|
| Name | 3,11-Dithiatricyclo[11.2.2.15,9]octadecane, chromium deriv. |
| CAS Registry Number | 123003-03-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H14CrF2O4S2 |
| InChI | InChI=1S/C16H14F2S2.4CO.Cr/c17-15-11-4-2-1-3-5-19-9-13-6-12(15)7-14(16(13)18)10-20-8-11;4*1-2;/h1-4,6-7H,5,8-10H2;;;;;/b3-1+,4-2+,15-11-;;;;; |
| InChIKey | JUIXDSFZYUMJHY-AATXAUELSA-N |
| Molecular Weight | 474.457 g/mol |
| SMILES | S12Cc3c(c4CS([Cr]2(C#[O])(C#[O])(C#[O])C#[O])C\C=C\C=C\C(=C/(c(c3)c4)F)C1)F |
| SPLASH | splash10-05fr-0904000000-c2c36e19ed1fa04d79cf |
| Source of Spectrum | J-54-5879-38 |
| Synonyms | Chromium, tetracarbonyl(17,18-difluoro-3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaene-S3,S11)-, stereoisomer 3,11-Dithiatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaene, 17,18-difluoro-, chromium complex |
| Wiley ID | 1393237 |