| SpectraBase Compound ID | E61Jzf03ZTt |
|---|---|
| InChI | InChI=1S/C15H20O3/c1-8-4-7-12-10(3)14(16)18-13-9(2)5-6-11(8)15(12,13)17/h5,8,11-13,17H,3-4,6-7H2,1-2H3/t8-,11+,12+,13-,15-/m1/s1 |
| InChIKey | PTXJFFZECVHEHC-JDRMZHCHSA-N |
| Mol Weight | 248.32 g/mol |
| Molecular Formula | C15H20O3 |
| Exact Mass | 248.141245 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1EmDDdVDRVo |
|---|---|
| Name | 6.alpha.-Hydroxy-Isoannulide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H20O3 |
| InChI | InChI=1S/C15H20O3/c1-8-4-7-12-10(3)14(16)18-13-9(2)5-6-11(8)15(12,13)17/h5,8,11-13,17H,3-4,6-7H2,1-2H3/t8-,11+,12+,13-,15-/m1/s1 |
| InChIKey | PTXJFFZECVHEHC-JDRMZHCHSA-N |
| Molecular Weight | 248.322 g/mol |
| SMILES | O[C@]12[C@@]3(OC(C([C@@]2(CC[C@]([C@@]1(CC=C3C)[H])(C)[H])[H])=C)=O)[H] |
| SPLASH | splash10-003r-9570000000-e8fab0db8fe9a7278a48 |
| Source of Spectrum | X2-57-1709-2 |
| Wiley ID | 1605766 |