| SpectraBase Compound ID | HjTB4jwHfQF |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-7-4-5-9(12)10(2,3)6-8(7)11/h4H,5-6H2,1-3H3 |
| InChIKey | MSDBNIIXBPLILP-UHFFFAOYSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2Qq3JOnowBo |
|---|---|
| Name | 5-CYCLOHEPTENE-1,4-DIONE, 2,2,5-TRIMETHYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C10H14O2 |
| InChI | InChI=1S/C10H14O2/c1-7-4-5-9(12)10(2,3)6-8(7)11/h4H,5-6H2,1-3H3 |
| InChIKey | MSDBNIIXBPLILP-UHFFFAOYSA-N |
| Molecular Weight | 166.0990 |
| SMILES | C1(=O)C(C)(C)CC(=O)C(C)=CC1 |
| SPLASH | splash10-0f89-9100000000-a03f5324d44c055e0234 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |