| SpectraBase Compound ID | HbVbyzrnP8C |
|---|---|
| InChI | InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3 |
| InChIKey | HCFAJYNVAYBARA-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 | 8WTCcbF3rlx |
|---|---|
| Name | 4-Heptanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H14O |
| InChI | InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3 |
| InChIKey | HCFAJYNVAYBARA-UHFFFAOYSA-N |
| Instrument Name | Agilent 6890-5973N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/jsfa.4205 |
| Molecular Weight | 114.188 g/mol |
| SMILES | CCCC(=O)CCC |
| SPLASH | splash10-00dl-9100000000-da6592255d40fc0720a1 |
| Source of Spectrum | SFA-91-454-4-Heptanone |
| Wiley ID | 1838663 |