| SpectraBase Compound ID | FxvnPiiRlXe |
|---|---|
| InChI | InChI=1S/C7H12O/c1-5-7(4,8)6(2)3/h1,6,8H,2-4H3 |
| InChIKey | DZNLEQBXXLGELU-UHFFFAOYSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1pTbwr53JBR |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-5-7(4,8)6(2)3/h1,6,8H,2-4H3 |
| InChIKey | DZNLEQBXXLGELU-UHFFFAOYSA-N |
| Molecular Weight | 112.0885 |
| SMILES | OC(C(C)C)(C)C#C |
| SPLASH | splash10-014l-9000000000-c192c657583aee46b5e4 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |