| SpectraBase Compound ID | 6P9Mb6HcHsq |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-9-3-6-12-10(7-9)4-5-11-8-16-13(15)14(11,12)2/h4-5,9-12H,3,6-8H2,1-2H3/t9-,10-,11+,12-,14-/m0/s1 |
| InChIKey | ZSRQNNNSHRCNQE-HNRZYHPDSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C14H20O2 |
| Exact Mass | 220.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1l9DWGG7zP2 |
|---|---|
| Name | Oblongolide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.146329882 u |
| Formula | C14H20O2 |
| InChI | InChI=1S/C14H20O2/c1-9-3-6-12-10(7-9)4-5-11-8-16-13(15)14(11,12)2/h4-5,9-12H,3,6-8H2,1-2H3/t9-,10-,11+,12-,14-/m0/s1 |
| InChIKey | ZSRQNNNSHRCNQE-HNRZYHPDSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | [C@@]12(C(OC[C@]1(C=C[C@@]1([C@@]2(CC[C@](C)(C1)[H])[H])[H])[H])=O)C |