| SpectraBase Compound ID | JVCldX5F6qO |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-7(5-6-10)9(12)4-3-8(2)11/h5-6H,3-4H2,1-2H3/b7-5+ |
| InChIKey | XJTKTBDQAKJMQG-FNORWQNLSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C9H12O3 |
| Exact Mass | 168.078644 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5SbEfmbo1YG |
|---|---|
| Name | 3-METHYL-4,7-DIOXOOCT-2-ENAL |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c1-7(5-6-10)9(12)4-3-8(2)11/h5-6H,3-4H2,1-2H3/b7-5+ |
| InChIKey | XJTKTBDQAKJMQG-FNORWQNLSA-N |
| Molecular Weight | 168.0783 |
| SMILES | CC(CCC(\C(=C\C=O)C)=O)=O |
| SPLASH | splash10-0006-9400000000-5e193ecaf47f2df5a191 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |