| SpectraBase Compound ID | 3NPSlvN1bhs |
|---|---|
| InChI | InChI=1S/C16H16O3/c1-16(14(18)9-10-15(16)19)11-5-8-13(17)12-6-3-2-4-7-12/h2-8H,9-11H2,1H3/b8-5+ |
| InChIKey | ATSRJISDNXBLMG-VMPITWQZSA-N |
| Mol Weight | 256.3 g/mol |
| Molecular Formula | C16H16O3 |
| Exact Mass | 256.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cb6xndCxHbN |
|---|---|
| Name | 2-Methyl-2-(4-oxo-4-phenyl-but-2-enyl)-cyclopentane-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.109944372 u |
| Formula | C16H16O3 |
| InChI | InChI=1S/C16H16O3/c1-16(14(18)9-10-15(16)19)11-5-8-13(17)12-6-3-2-4-7-12/h2-8H,9-11H2,1H3/b8-5+ |
| InChIKey | ATSRJISDNXBLMG-VMPITWQZSA-N |
| Molecular Weight | 256.301 g/mol |
| SMILES | C1(C(=O)CCC1=O)(C\C=C\C(C1=CC=CC=C1)=O)C |