| SpectraBase Compound ID | iLI7WWnREO |
|---|---|
| InChI | InChI=1S/C14H16O2/c1-11(15)8-9-14(12(2)16)10-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3/b14-10- |
| InChIKey | RRQUOUOBOXWUSD-UVTDQMKNSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C14H16O2 |
| Exact Mass | 216.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ISjlotMWo6k |
|---|---|
| Name | 3-Benzylideneheptane-2,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.115029753 u |
| Formula | C14H16O2 |
| InChI | InChI=1S/C14H16O2/c1-11(15)8-9-14(12(2)16)10-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3/b14-10- |
| InChIKey | RRQUOUOBOXWUSD-UVTDQMKNSA-N |
| Molecular Weight | 216.280 g/mol |
| SMILES | C=1(\C=C/(C(=O)C)CCC(=O)C)C=CC=CC1 |