| SpectraBase Compound ID | E2cNL8ZiojI |
|---|---|
| InChI | InChI=1S/3C15H12O2.Al/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 | BEIJGMCPJVBOAB-UHFFFAOYSA-N |
| Mol Weight | 699.8 g/mol |
| Molecular Formula | C45H36AlO6 |
| Exact Mass | 699.232727 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2R5REwkyELi |
|---|---|
| Name | Aluminum, 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-aluminaspiro[5.5(6).5(6)]hexadeca-1,4,7,10,12,15-hexaene-1,5,7,11,12,16-hexakis(ylium) Aluminum, tris(1,3-diphenyl-1,3-propanedionato)- Tris(1,3-diphenyl-1,3-propanedionato)aluminum Tris(1,3-diphenyl-1,3-propanedionato)aluminum(III) NSC 177709 |
| CAS Registry Number | 14405-36-8 |
| Comments | Note: The molecular formula of the structure shown is C45H36AlO6 - which differs from the formula reported for the mass spectrum (C45H33AlO6) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C45H33AlO6 |
| InChI | InChI=1S/3C15H12O2.Al/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 | BEIJGMCPJVBOAB-UHFFFAOYSA-N |
| Molecular Weight | 699.759 g/mol |
| SMILES | C1(=[O+][Al]23([O+]=C(C1)c1ccccc1)([O+]=C(c1ccccc1)CC(=[O+]3)c1ccccc1)[O+]=C(c1ccccc1)CC(=[O+]2)c1ccccc1)c1ccccc1 |
| SPLASH | splash10-00di-0000900000-3ecb2cd8fd8a719bb8d3 |
| Source of Spectrum | T-68-5956-0 |
| Wiley ID | 66279 |