| SpectraBase Compound ID | LGpBIxDbaNF |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-5(9)4-8(11)6(2)7(3)10/h6H,4H2,1-3H3 |
| InChIKey | ZVILAOJNAIFWSP-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 | B2o2NlTv0XQ |
|---|---|
| Name | 2,4,6-Heptanetrione, 3-methyl- |
| CAS Registry Number | 32837-48-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c1-5(9)4-8(11)6(2)7(3)10/h6H,4H2,1-3H3 |
| InChIKey | ZVILAOJNAIFWSP-UHFFFAOYSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | C(C(C(=O)C)C)(CC(=O)C)=O |
| SPLASH | splash10-000f-9200000000-e7adf26995bc7c5306d7 |
| Source of Spectrum | C-98-7740-0 |
| Synonyms | 3-Methyl-2,4,6-heptanetrione |
| Wiley ID | 1153370 |