| SpectraBase Compound ID | 37Qxpl5UdOF |
|---|---|
| InChI | InChI=1S/C16H18O3/c1-9-7-11-8-16(3,4)15(19)14(11)10(2)12(9)5-6-13(17)18/h5-7H,8H2,1-4H3,(H,17,18)/b6-5+ |
| InChIKey | QFUKKXDFLFRZAB-AATRIKPKSA-N |
| Mol Weight | 258.32 g/mol |
| Molecular Formula | C16H18O3 |
| Exact Mass | 258.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FnZF4UBZoG9 |
|---|---|
| Name | E-2,3-Dihydro-2,2,5,7-tetramethyl-1H-inden-1-one-6-propenoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.125594437 u |
| Formula | C16H18O3 |
| InChI | InChI=1S/C16H18O3/c1-9-7-11-8-16(3,4)15(19)14(11)10(2)12(9)5-6-13(17)18/h5-7H,8H2,1-4H3,(H,17,18)/b6-5+ |
| InChIKey | QFUKKXDFLFRZAB-AATRIKPKSA-N |
| Molecular Weight | 258.317 g/mol |
| SMILES | C1=2C(=C(\C=C\C(=O)O)C(=CC2CC(C1=O)(C)C)C)C |