| SpectraBase Compound ID | 9z8msMNmSbP |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-5-11(3,4)8-10(13)7-6-9(2)12/h5-7H,1,8H2,2-4H3/b7-6+ |
| InChIKey | XTZJOXLSARITNR-VOTSOKGWSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EYPVPQ2Tecz |
|---|---|
| Name | 7,7-Dimethyl-3,8-nonadien-2,5-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-5-11(3,4)8-10(13)7-6-9(2)12/h5-7H,1,8H2,2-4H3/b7-6+ |
| InChIKey | XTZJOXLSARITNR-VOTSOKGWSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C(\C=C\C(=O)CC(C=C)(C)C)(=O)C |