| SpectraBase Compound ID | 17aE9tkAY4u |
|---|---|
| InChI | InChI=1S/C7H14O/c1-4-5-6(2)7(3)8/h6H,4-5H2,1-3H3 |
| InChIKey | GYWYASONLSQZBB-UHFFFAOYSA-N |
| Mol Weight | 114.19 g/mol |
| Molecular Formula | C7H14O |
| Exact Mass | 114.104465 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4ZQ9TG9FB4X |
|---|---|
| Name | 3-METHYLHEXAN-2-ONE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H14O |
| InChI | InChI=1S/C7H14O/c1-4-5-6(2)7(3)8/h6H,4-5H2,1-3H3 |
| InChIKey | GYWYASONLSQZBB-UHFFFAOYSA-N |
| Molecular Weight | 114.1041 |
| SMILES | CC(C(CCC)C)=O |
| SPLASH | splash10-006x-9000000000-d8790480f76df646db13 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |