| SpectraBase Compound ID | J9alPXEAwhJ |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-6(10)4-5-9(7(2)11)8(3)12/h9H,4-5H2,1-3H3 |
| InChIKey | RQZJIXZNJBCGQC-UHFFFAOYSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KHfHPlnXhIt |
|---|---|
| Name | 2,6-HEPTANEDIONE, 3-ACETYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c1-6(10)4-5-9(7(2)11)8(3)12/h9H,4-5H2,1-3H3 |
| InChIKey | RQZJIXZNJBCGQC-UHFFFAOYSA-N |
| Instrument Name | 311A |
| Molecular Weight | 170.0939 |
| SMILES | CC(C(CCC(=O)C)C(C)=O)=O |
| SPLASH | splash10-0006-9200000000-4d367baf720e80482b9a |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |