| SpectraBase Compound ID | AlkPft4YqhO |
|---|---|
| InChI | InChI=1S/C13H20O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-8H2,1-4H3 |
| InChIKey | QUHPCHDTFDSTTL-UHFFFAOYSA-N |
| Mol Weight | 208.3 g/mol |
| Molecular Formula | C13H20O2 |
| Exact Mass | 208.14633 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EGWKsCqUHLb |
|---|---|
| Name | 2,4,4-TRIMETHYL-3-(3-OXO-BUTYL)-CYCLOHEX-2-ENONE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H20O2 |
| InChI | InChI=1S/C13H20O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-8H2,1-4H3 |
| InChIKey | QUHPCHDTFDSTTL-UHFFFAOYSA-N |
| Molecular Weight | 208.1458 |
| SMILES | C1C(=O)C(C)=C(CCC(=O)C)C(C)(C)C1 |
| SPLASH | splash10-05mx-8900000000-91558620e9517b414112 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |