| SpectraBase Compound ID | BkWI51YaHlI |
|---|---|
| InChI | InChI=1S/C16H20O3/c1-9-7-11-8-16(3,4)15(19)14(11)10(2)12(9)5-6-13(17)18/h7H,5-6,8H2,1-4H3,(H,17,18) |
| InChIKey | JZGUCGIQZNABCU-UHFFFAOYSA-N |
| Mol Weight | 260.33 g/mol |
| Molecular Formula | C16H20O3 |
| Exact Mass | 260.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4sIiO28ci7p |
|---|---|
| Name | 2,3-Dihydro-2,2,5,7-tetramethyl-1H-inden-1-one-6-propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.141244501 u |
| Formula | C16H20O3 |
| InChI | InChI=1S/C16H20O3/c1-9-7-11-8-16(3,4)15(19)14(11)10(2)12(9)5-6-13(17)18/h7H,5-6,8H2,1-4H3,(H,17,18) |
| InChIKey | JZGUCGIQZNABCU-UHFFFAOYSA-N |
| Molecular Weight | 260.333 g/mol |
| SMILES | C1=2C(=C(CCC(=O)O)C(=CC2CC(C1=O)(C)C)C)C |