| SpectraBase Compound ID | E44zvZxK1TC |
|---|---|
| InChI | InChI=1S/3C15H12O2.Cr/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h3*1-10H,11H2;/q;;;+6 |
| InChIKey | MLICWTZSBIITBO-UHFFFAOYSA-N |
| Mol Weight | 724.8 g/mol |
| Molecular Formula | C45H36CrO6 |
| Exact Mass | 724.191694 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3YutnwjtgSg |
|---|---|
| Name | Chromium, tris(1,3-diphenyl-1,3-propanedionato-O,O')-, (OC-6-11)- |
| Alternate Name(s) | 2,4,8,10,13,15-hexaphenyl-1,5,7,11,12,16-hexaoxa-6-chromaspiro[5.5(6).5(6)]hexadeca-1,4,7,10,12,15-hexaene-1,5,7,11,12,16-hexakis(ylium) Chromium, tris (1,3-diphenyl-1,3-propanedionato)- Tris(1,3-dophenyl-1,3-propanedionato)chromium(III) NSC 174336 |
| CAS Registry Number | 21679-35-6 |
| Comments | Note: The molecular formula of the structure shown is C45H36CrO6 - which differs from the formula reported for the mass spectrum (C45H33CrO6) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C45H33CrO6 |
| InChI | InChI=1S/3C15H12O2.Cr/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h3*1-10H,11H2;/q;;;+6 |
| InChIKey | MLICWTZSBIITBO-UHFFFAOYSA-N |
| Molecular Weight | 724.773 g/mol |
| SMILES | C1(=[O+][Cr]23([O+]=C(C1)c1ccccc1)([O+]=C(c1ccccc1)CC(=[O+]3)c1ccccc1)[O+]=C(c1ccccc1)CC(=[O+]2)c1ccccc1)c1ccccc1 |
| SPLASH | splash10-0092-5230900600-9dbbe6b49f0690742017 |
| Source of Spectrum | T-68-5957-0 |
| Wiley ID | 1415669 |