| SpectraBase Compound ID | Iihmqe1UVhZ |
|---|---|
| InChI | InChI=1S/C7H10O3/c1-5(8)3-4-7(10)6(2)9/h3-4H2,1-2H3 |
| InChIKey | XDJAUXXWCBLXGT-UHFFFAOYSA-N |
| Mol Weight | 142.15 g/mol |
| Molecular Formula | C7H10O3 |
| Exact Mass | 142.062994 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BYMpLahQqoc |
|---|---|
| Name | 2,3,6-Heptanetrione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H10O3 |
| InChI | InChI=1S/C7H10O3/c1-5(8)3-4-7(10)6(2)9/h3-4H2,1-2H3 |
| InChIKey | XDJAUXXWCBLXGT-UHFFFAOYSA-N |
| Molecular Weight | 142.154 g/mol |
| SMILES | C(C(=O)C)(=O)CCC(=O)C |
| SPLASH | splash10-006t-9000000000-945b9fbd7fd5f619c1bb |
| Source of Spectrum | SO-0-246-9 |
| Synonyms | Heptane-2,3,6-trione |
| Wiley ID | 873401 |