| SpectraBase Compound ID | ATcLOBcmBCr |
|---|---|
| InChI | InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3 |
| InChIKey | UIHCLUNTQKBZGK-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 | AHKFfrAD1Vi |
|---|---|
| Name | PENTANE,-2-ONE,-3-METHYL |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C6H12O |
| InChI | InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3 |
| InChIKey | UIHCLUNTQKBZGK-UHFFFAOYSA-N |
| Molecular Weight | 100.0885 |
| SMILES | CC(C(CC)C)=O |
| SPLASH | splash10-004l-9000000000-47525cb5b2f014099079 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |