| SpectraBase Compound ID | JqKTkoKR9Hx |
|---|---|
| InChI | InChI=1S/C16H20O2/c1-18-16(17)15-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15/h10H,2-9H2,1H3 |
| InChIKey | YXBQSPZNVJSEBP-UHFFFAOYSA-N |
| Mol Weight | 244.33 g/mol |
| Molecular Formula | C16H20O2 |
| Exact Mass | 244.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J1ScT59c7nx |
|---|---|
| Name | 1,2,3,4,5,6,7,8-Octahydrophenanthrene-9-carboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.146329882 u |
| Formula | C16H20O2 |
| InChI | InChI=1S/C16H20O2/c1-18-16(17)15-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15/h10H,2-9H2,1H3 |
| InChIKey | YXBQSPZNVJSEBP-UHFFFAOYSA-N |
| Molecular Weight | 244.334 g/mol |
| SMILES | C1(=C2C(=C3C(=C1)CCCC3)CCCC2)C(OC)=O |