| SpectraBase Compound ID | 8ybDUtqf0ko |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-8(2)11(5,10(4)13)7-6-9(3)12/h8H,1-5H3 |
| InChIKey | JAKRGBHMHWTIEC-UHFFFAOYSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GR8V6LtKoyk |
|---|---|
| Name | 3-HEPTYNE-2,6-DIONE, 5-METHYL-5-(1-METHYLETHYL)- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-8(2)11(5,10(4)13)7-6-9(3)12/h8H,1-5H3 |
| InChIKey | JAKRGBHMHWTIEC-UHFFFAOYSA-N |
| Molecular Weight | 180.1146 |
| SMILES | CC(C(C#CC(C)=O)(C)C(C)C)=O |
| SPLASH | splash10-0076-9800000000-bf5f4fa2b7d2c2e6b26a |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |