| SpectraBase Compound ID | 1V3APCX1HPw |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-4-5-6-8(7(2)10)9(11)12-3/h8H,4-6H2,1-3H3 |
| InChIKey | PYYFKCZKDCTZBH-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 541BpOtj8v5 |
|---|---|
| Name | 2-Acetylhexanoic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-4-5-6-8(7(2)10)9(11)12-3/h8H,4-6H2,1-3H3 |
| InChIKey | PYYFKCZKDCTZBH-UHFFFAOYSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(C(=O)OC)(C(=O)C)CCCC |
| SPLASH | splash10-000f-9200000000-e40735382f5e2496d16d |
| Source of Spectrum | IC-350-0-0 |
| Synonyms | Methyl 2-acetylhexanoate Methyl 2-ethanoylhexanoate |
| Wiley ID | 1168670 |