| SpectraBase Compound ID | C6OKgGqzGsw |
|---|---|
| InChI | InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3 |
| InChIKey | CATSNJVOTSVZJV-UHFFFAOYSA-N |
| Mol Weight | 114.19 g/mol |
| Molecular Formula | C7H14O |
| Exact Mass | 114.104465 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3no4nNiyofi |
|---|---|
| Name | Heptan-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H14O |
| InChI | InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3 |
| InChIKey | CATSNJVOTSVZJV-UHFFFAOYSA-N |
| Molecular Weight | 114.188 g/mol |
| SMILES | C(=O)(C)CCCCC |
| SPLASH | splash10-0a4l-9000000000-6164bee998ab5c6b91c3 |
| Source of Spectrum | CBC-20-SM39-3 |
| Wiley ID | 1814233 |