| SpectraBase Compound ID | KrlmDP4gYvI |
|---|---|
| InChI | InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3 |
| InChIKey | PJGSXYOJTGTZAV-UHFFFAOYSA-N |
| Mol Weight | 100.16 g/mol |
| Molecular Formula | C6H12O |
| Exact Mass | 100.088815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9FOwkQFWI3y |
|---|---|
| Name | Pinacolin |
| Alternate Name(s) | 3,3-Dimethyl-2-butanone |
| Comments | MONAID: JP001693 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H12O |
| InChI | InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3 |
| InChIKey | PJGSXYOJTGTZAV-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 100.161 g/mol |
| SMILES | CC(=O)C(C)(C)C |
| SPLASH | splash10-0a4l-9000000000-6dacc1cf65712a432f8e |
| Source of Spectrum | SRH-2022-1693-0 |
| Wiley ID | 1824106 |