| SpectraBase Compound ID | 5BJZ8TdZa2L |
|---|---|
| InChI | InChI=1S/C9H14O4/c1-9(2,3)7(11)5-6(10)8(12)13-4/h5H2,1-4H3 |
| InChIKey | POITUNMGPFESML-UHFFFAOYSA-N |
| Mol Weight | 186.21 g/mol |
| Molecular Formula | C9H14O4 |
| Exact Mass | 186.089209 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FGEXrASzRPE |
|---|---|
| Name | 5,5-Dimethyl-2,4-dioxohexanoic Acid Methyl Ester |
| CAS Registry Number | 42957-17-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H14O4 |
| InChI | InChI=1S/C9H14O4/c1-9(2,3)7(11)5-6(10)8(12)13-4/h5H2,1-4H3 |
| InChIKey | POITUNMGPFESML-UHFFFAOYSA-N |
| Molecular Weight | 186.207 g/mol |
| SMILES | C(CC(C(C)(C)C)=O)(C(=O)OC)=O |
| SPLASH | splash10-00or-7900000000-d7ecefca8ed6a04fd0ae |
| Source of Spectrum | J-56-5305-1 |
| Wiley ID | 251425 |