| SpectraBase Compound ID | 2Z5XFmIdiTG |
|---|---|
| InChI | InChI=1S/C15H20O3/c1-17-14(18-2)10-12-8-5-7-11-6-3-4-9-13(11)15(12)16/h3-4,6,9,12,14H,5,7-8,10H2,1-2H3 |
| InChIKey | QUJGFBYLEMXTCK-UHFFFAOYSA-N |
| Mol Weight | 248.32 g/mol |
| Molecular Formula | C15H20O3 |
| Exact Mass | 248.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C5fTS4m2YnF |
|---|---|
| Name | 6-(2,2-Dimethoxyethyl)-6,7,8,9-tetrahydrobenzocyclohepten-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.141244501 u |
| Formula | C15H20O3 |
| InChI | InChI=1S/C15H20O3/c1-17-14(18-2)10-12-8-5-7-11-6-3-4-9-13(11)15(12)16/h3-4,6,9,12,14H,5,7-8,10H2,1-2H3 |
| InChIKey | QUJGFBYLEMXTCK-UHFFFAOYSA-N |
| Molecular Weight | 248.322 g/mol |
| SMILES | C1(C=2C(CCCC1CC(OC)OC)=CC=CC2)=O |