| SpectraBase Compound ID | IHOHf0sfoXN |
|---|---|
| InChI | InChI=1S/3C11H20O2.Cr/c3*1-8(2)6-9(12)7-10(13)11(3,4)5;/h3*8H,6-7H2,1-5H3;/q;;;+6 |
| InChIKey | NDQOEJWIDMOQSJ-UHFFFAOYSA-N |
| Mol Weight | 604.8 g/mol |
| Molecular Formula | C33H60CrO6 |
| Exact Mass | 604.379495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FOwifQLLy08 |
|---|---|
| Name | Chromium, tris(2,2,7-trimethyl-3,5-octanedionato-O,O')- |
| Alternate Name(s) | 2,8,13-tri-tert-butyl-4,10,15-tris(2-methylpropyl)-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) 3,5-Octanedione, 2,2,7-trimethyl-, chromium complex Chromium(III) tris(2,2,7-trimethyloctane-3,5-dione) Tri(2,2,7-trimethyloctane-3,5-dione)chromium(III) NSC 322885 |
| CAS Registry Number | 69701-41-3 |
| Comments | Note: The molecular formula of the structure shown is C33H60CrO6 - which differs from the formula reported for the mass spectrum (C33H57CrO6) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H57CrO6 |
| InChI | InChI=1S/3C11H20O2.Cr/c3*1-8(2)6-9(12)7-10(13)11(3,4)5;/h3*8H,6-7H2,1-5H3;/q;;;+6 |
| InChIKey | NDQOEJWIDMOQSJ-UHFFFAOYSA-N |
| Molecular Weight | 604.833 g/mol |
| SMILES | C1(=[O+][Cr]23([O+]=C(C1)CC(C)C)([O+]=C(C(C)(C)C)CC(=[O+]3)CC(C)C)[O+]=C(C(C)(C)C)CC(=[O+]2)CC(C)C)C(C)(C)C |
| SPLASH | splash10-014i-0020902000-43a8bb2578bbb5f4dac3 |
| Source of Spectrum | O-24-236-1 |
| Wiley ID | 1410234 |