| SpectraBase Compound ID | DPzJElAXvVV |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-3-7-11(13)9-5-6-10-12(14)8-4-2/h3-10H2,1-2H3 |
| InChIKey | ATYOIKSGVNLFRA-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HPLPwxL1GnO |
|---|---|
| Name | 4,9-Dodecanedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-3-7-11(13)9-5-6-10-12(14)8-4-2/h3-10H2,1-2H3 |
| InChIKey | ATYOIKSGVNLFRA-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | C(C(CCC)=O)CCCC(CCC)=O |