| SpectraBase Compound ID | CjoubFFRHjz |
|---|---|
| InChI | InChI=1S/C7H10O2/c1-3-7(9)5-4-6(2)8/h4-5H,3H2,1-2H3/b5-4+ |
| InChIKey | YTVSAHBJOWKZHT-SNAWJCMRSA-N |
| Mol Weight | 126.15 g/mol |
| Molecular Formula | C7H10O2 |
| Exact Mass | 126.06808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CalK18C1sSq |
|---|---|
| Name | (E)-Hept-3-ene-2,5-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.068079560 u |
| Formula | C7H10O2 |
| InChI | InChI=1S/C7H10O2/c1-3-7(9)5-4-6(2)8/h4-5H,3H2,1-2H3/b5-4+ |
| InChIKey | YTVSAHBJOWKZHT-SNAWJCMRSA-N |
| Molecular Weight | 126.155 g/mol |
| SMILES | C(\C=C\C(=O)C)(CC)=O |