| SpectraBase Compound ID | AjOCELbp8Lz |
|---|---|
| InChI | InChI=1S/C9H18O/c1-7(2)8(10)6-9(3,4)5/h7H,6H2,1-5H3 |
| InChIKey | KJWBHOKFRSFCBZ-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 | 7u8h5l1MfzY |
|---|---|
| Name | 2,2,5-Trimethylhexan-4-one |
| Alternate Name(s) | 2,5,5-Trimethyl-3-hexanone 2,5,5-trimethylhexan-3-one |
| CAS Registry Number | 40239-50-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H18O |
| InChI | InChI=1S/C9H18O/c1-7(2)8(10)6-9(3,4)5/h7H,6H2,1-5H3 |
| InChIKey | KJWBHOKFRSFCBZ-UHFFFAOYSA-N |
| Molecular Weight | 142.242 g/mol |
| SMILES | C(=O)(C(C)C)CC(C)(C)C |
| SPLASH | splash10-054o-9000000000-3eceb88f5a57c9159f2a |
| Wiley ID | 1476913 |