| SpectraBase Compound ID | Ie8eDn2FpIX |
|---|---|
| InChI | InChI=1S/C19H20O2/c1-21-19(20)8-4-5-14-9-12-18-16(13-14)11-10-15-6-2-3-7-17(15)18/h2-3,6-7,9,12-13H,4-5,8,10-11H2,1H3 |
| InChIKey | VCWUAUPTAIVSLY-UHFFFAOYSA-N |
| Mol Weight | 280.37 g/mol |
| Molecular Formula | C19H20O2 |
| Exact Mass | 280.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ioKIAQSYwX |
|---|---|
| Name | 9,10-Dihydrophenanthren-2-butyric acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.146329882 u |
| Formula | C19H20O2 |
| InChI | InChI=1S/C19H20O2/c1-21-19(20)8-4-5-14-9-12-18-16(13-14)11-10-15-6-2-3-7-17(15)18/h2-3,6-7,9,12-13H,4-5,8,10-11H2,1H3 |
| InChIKey | VCWUAUPTAIVSLY-UHFFFAOYSA-N |
| SMILES | C12=C(CCC3=C2C=CC(=C3)CCCC(OC)=O)C=CC=C1 |