| SpectraBase Compound ID | 5NlZki18IeN |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-6(9)3-4-8(11)5-7(2)10/h3-5H2,1-2H3 |
| InChIKey | AIVJKJUUXMUBEG-UHFFFAOYSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7OjQuwTW1XZ |
|---|---|
| Name | 2,4,7-Octanetrione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c1-6(9)3-4-8(11)5-7(2)10/h3-5H2,1-2H3 |
| InChIKey | AIVJKJUUXMUBEG-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 156.181 g/mol |
| SMILES | CC(=O)CCC(=O)CC(C)=O |
| SPLASH | splash10-004i-9000000000-9fb56cfab974411799f4 |
| Source of Spectrum | SRH-2022-5540-0 |
| Wiley ID | 1827600 |