| SpectraBase Compound ID | TOltjm3kXB |
|---|---|
| InChI | InChI=1S/3C7H6O2.Fe/c3*8-6-4-2-1-3-5-7(6)9;/h3*1-5H,(H,8,9);/q;;;+3/p-3 |
| InChIKey | SBIFJXLXZKEJCI-UHFFFAOYSA-K |
| Mol Weight | 419.19 g/mol |
| Molecular Formula | C21H15FeO6 |
| Exact Mass | 419.021799 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CN9FR9S11IR |
|---|---|
| Name | Iron tristropolonate |
| CAS Registry Number | 14283-77-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H15FeO6 |
| InChI | InChI=1S/3C7H6O2.Fe/c3*8-6-4-2-1-3-5-7(6)9;/h3*1-5H,(H,8,9);/q;;;+3/p-3 |
| InChIKey | SBIFJXLXZKEJCI-UHFFFAOYSA-K |
| Molecular Weight | 419.190 g/mol |
| SMILES | C=1C(C(O[Fe](OC=2C(=O)C=CC=CC2)OC2=CC=CC=CC2=O)=CC=CC1)=O |
| SPLASH | splash10-0gi3-9100000000-6bc985ca8fca255274d2 |
| Wiley ID | 1475864 |