| SpectraBase Compound ID | JxswBR1bM6R |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-3-4-5-6-7-16-12(15)9-11(14)8-10(2)13/h3-9H2,1-2H3 |
| InChIKey | CXAPORFIYOWBBW-UHFFFAOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HdLkbTl2A2J |
|---|---|
| Name | n-Hexyl 3,5-dioxohexanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c1-3-4-5-6-7-16-12(15)9-11(14)8-10(2)13/h3-9H2,1-2H3 |
| InChIKey | CXAPORFIYOWBBW-UHFFFAOYSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | C(C(=O)OCCCCCC)C(CC(=O)C)=O |
| SPLASH | splash10-004r-6910000000-a8fcb94121759b83ab31 |
| Source of Spectrum | QE-7-4566-1 |
| Synonyms | Hexyl 3,5-dioxohexanoate |
| Wiley ID | 845966 |