| SpectraBase Compound ID | 1xsio161y6T |
|---|---|
| InChI | InChI=1S/C12H16O7/c1-16-8-5-18-9(13)3-6-7(11(14)17-2)4-19-12(15)10(6)8/h4,6,8,10,12,15H,3,5H2,1-2H3/t6-,8?,10+,12-/m1/s1 |
| InChIKey | YBQHLBWRZXLABC-ZZHDWVBTSA-N |
| Mol Weight | 272.25 g/mol |
| Molecular Formula | C12H16O7 |
| Exact Mass | 272.089603 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D0MfRkANgZz |
|---|---|
| Name | Jasmolactone E |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16O7 |
| InChI | InChI=1S/C12H16O7/c1-16-8-5-18-9(13)3-6-7(11(14)17-2)4-19-12(15)10(6)8/h4,6,8,10,12,15H,3,5H2,1-2H3/t6-,8?,10+,12-/m1/s1 |
| InChIKey | YBQHLBWRZXLABC-ZZHDWVBTSA-N |
| Molecular Weight | 272.253 g/mol |
| SMILES | O[C@@]1(OC=C([C@@]2([C@]1(C(COC(C2)=O)OC)[H])[H])C(=O)OC)[H] |
| SPLASH | splash10-0w2l-0930000000-c37270812de0fbbb0ae1 |
| Source of Spectrum | AT-34-1950-7 |
| Wiley ID | 852481 |