| SpectraBase Compound ID | HiBLzZgIhYw |
|---|---|
| InChI | InChI=1S/C13H22O3/c1-8(14)9(10(15)12(2,3)4)11(16)13(5,6)7/h9H,1-7H3 |
| InChIKey | IFBGBXGWLLDOKX-UHFFFAOYSA-N |
| Mol Weight | 226.32 g/mol |
| Molecular Formula | C13H22O3 |
| Exact Mass | 226.156895 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8w5e3YcCuwt |
|---|---|
| Name | 3,5-HEPTANDIONE, 4-ACETYL-2,2,6,6-TETRAMETHYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H22O3 |
| InChI | InChI=1S/C13H22O3/c1-8(14)9(10(15)12(2,3)4)11(16)13(5,6)7/h9H,1-7H3 |
| InChIKey | IFBGBXGWLLDOKX-UHFFFAOYSA-N |
| Molecular Weight | 226.1563 |
| SMILES | CC(C(C(C(C)=O)C(C(C)(C)C)=O)=O)(C)C |
| SPLASH | splash10-052r-9200000000-6de09aa4f6b6134a307e |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |