| SpectraBase Compound ID | 8BEZV6z2mYS |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-6(8)4-3-5-7(2)9/h3-5H2,1-2H3 |
| InChIKey | VAIFYHGFLAPCON-UHFFFAOYSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IOxiLnGivGs |
|---|---|
| Name | 2,6-Heptanedione |
| CAS Registry Number | 13505-34-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-6(8)4-3-5-7(2)9/h3-5H2,1-2H3 |
| InChIKey | VAIFYHGFLAPCON-UHFFFAOYSA-N |
| Molecular Weight | 128.171 g/mol |
| SMILES | CC(CCCC(C)=O)=O |
| SPLASH | splash10-0006-9000000000-1d2965d712969f625609 |
| Source of Spectrum | U1-1998-628-5 |
| Synonyms | 2,6-Heptadione Heptane-2,6-dione EINECS 236-832-8 NSC 315627 |
| Wiley ID | 750949 |