| 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 | JBjsFFA4H4g |
|---|---|
| Name | 2-BUTANONE-1,1,1-D3, 3,3-DIMETHYL- |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C6H9D3O |
| InChI | InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3 |
| InChIKey | PJGSXYOJTGTZAV-UHFFFAOYSA-N |
| Instrument Name | 311A |
| Molecular Weight | 100.0885 |
| SMILES | CC(C(C)=O)(C)C |
| SPLASH | splash10-0a4l-9000000000-dc96deb6d82c8783b0c3 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |