| SpectraBase Compound ID | 7XYcPRuXigr |
|---|---|
| InChI | InChI=1S/C18H18O2/c19-18(20)7-3-4-13-8-11-17-15(12-13)10-9-14-5-1-2-6-16(14)17/h1-2,5-6,8,11-12H,3-4,7,9-10H2,(H,19,20) |
| InChIKey | ATBNZVJRYSEKAE-UHFFFAOYSA-N |
| Mol Weight | 266.34 g/mol |
| Molecular Formula | C18H18O2 |
| Exact Mass | 266.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ASpz6duU0tM |
|---|---|
| Name | 9,10-Dihydrophenanthren-2-butyric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.130679818 u |
| Formula | C18H18O2 |
| InChI | InChI=1S/C18H18O2/c19-18(20)7-3-4-13-8-11-17-15(12-13)10-9-14-5-1-2-6-16(14)17/h1-2,5-6,8,11-12H,3-4,7,9-10H2,(H,19,20) |
| InChIKey | ATBNZVJRYSEKAE-UHFFFAOYSA-N |
| Molecular Weight | 266.340 g/mol |
| SMILES | C12=C(CCC3=C2C=CC(=C3)CCCC(O)=O)C=CC=C1 |