SpectraBase Compound ID | KrlmDP4gYvI |
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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 |
SpectraBase Spectrum ID | CAxnwYXhPrP |
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Name | Pinacolone |
Comments | MONAID: JP008057 |
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-9100000000-ea0c020aaabe24c5c1b2 |
Source of Spectrum | SRH-2022-8057-0 |
Synonyms | 3,3-Dimethyl-2-butanone |
Wiley ID | 1829769 |