| SpectraBase Compound ID | 7JOTzVeQee |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-4-7(9)5(2)6(3)8/h5H,4H2,1-3H3 |
| InChIKey | CAVUEALRYKNYRW-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 | B3DUAuVd2Jc |
|---|---|
| Name | 2,4-Hexanedione, 3-methyl- |
| CAS Registry Number | 4220-52-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-4-7(9)5(2)6(3)8/h5H,4H2,1-3H3 |
| InChIKey | CAVUEALRYKNYRW-UHFFFAOYSA-N |
| Molecular Weight | 128.171 g/mol |
| SMILES | CC(C(C(CC)=O)C)=O |
| SPLASH | splash10-052e-9000000000-34c9205e15467f9f4fc2 |
| Source of Spectrum | BW-2001-0-11 |
| Synonyms | 3-Methylhexane-2,4-dione 3-Methyl-2,4-hexanedione |
| Wiley ID | 811208 |