| SpectraBase Compound ID | B6Mx3UFPTO6 |
|---|---|
| InChI | InChI=1S/C9H18O/c1-4-5-9(10)7-6-8(2)3/h8H,4-7H2,1-3H3 |
| InChIKey | JUTSLBALKVVBQM-UHFFFAOYSA-N |
| Mol Weight | 142.24 g/mol |
| Molecular Formula | C9H18O |
| Exact Mass | 142.135765 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HKHbx9PNKnG |
|---|---|
| Name | 4-Octanone, 7-methyl- |
| Alternate Name(s) | 7-Methyl-4-octanone 7-Methyloctan-4-one |
| CAS Registry Number | 20809-46-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H18O |
| InChI | InChI=1S/C9H18O/c1-4-5-9(10)7-6-8(2)3/h8H,4-7H2,1-3H3 |
| InChIKey | JUTSLBALKVVBQM-UHFFFAOYSA-N |
| Molecular Weight | 142.242 g/mol |
| SMILES | C(CCC(C)C)(CCC)=O |
| SPLASH | splash10-0596-9000000000-a1d6a8c21dae4c06b4a3 |
| Source of Spectrum | C-92-3085-1 |
| Wiley ID | 1141486 |