| SpectraBase Compound ID | 9j1QD1DihvD |
|---|---|
| InChI | InChI=1S/C8H16O/c1-4-7(2)5-6-8(3)9/h7H,4-6H2,1-3H3 |
| InChIKey | WYDAUGNQLUXTFB-UHFFFAOYSA-N |
| Mol Weight | 128.21 g/mol |
| Molecular Formula | C8H16O |
| Exact Mass | 128.120115 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GVv2T6umLoG |
|---|---|
| Name | 2-Heptanone, 5-methyl- |
| Alternate Name(s) | 5-Methyl-2-heptanone 5-Methylheptan-2-one |
| CAS Registry Number | 18217-12-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H16O |
| InChI | InChI=1S/C8H16O/c1-4-7(2)5-6-8(3)9/h7H,4-6H2,1-3H3 |
| InChIKey | WYDAUGNQLUXTFB-UHFFFAOYSA-N |
| Molecular Weight | 128.215 g/mol |
| SMILES | CC(CCC(CC)C)=O |
| SPLASH | splash10-0006-9000000000-1b081ee40332871b52e2 |
| Source of Spectrum | JX-2015-6-1601 |
| Wiley ID | 1728089 |