| 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 | LqPfVTVu3qN |
|---|---|
| Name | 2-Heptanone |
| 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 |
| Instrument Name | Shimadzu 17A-QP5001 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/jsfa.2386 |
| Molecular Weight | 114.188 g/mol |
| SMILES | CCCCCC(C)=O |
| SPLASH | splash10-0006-9000000000-91e564ca9ecf49ef899a |
| Source of Spectrum | SFA-86-609-2-Heptanone |
| Wiley ID | 1840224 |