| SpectraBase Compound ID | JLhGrivQisD |
|---|---|
| InChI | InChI=1S/C20H20O5/c1-10(2)12-5-6-13-8-16(25-20(13)23)18(11(3)4)17-9-14(19(21)22)15(7-12)24-17/h5-6,8-9,12,16,18H,1,3,7H2,2,4H3,(H,21,22)/b6-5-/t12-,16-,18-/m1/s1 |
| InChIKey | CJEQTQLEUNXVAT-UVOLWDLJSA-N |
| Mol Weight | 340.38 g/mol |
| Molecular Formula | C20H20O5 |
| Exact Mass | 340.131074 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EQrGql3YVuL |
|---|---|
| Name | Pseudopteradienoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H20O5 |
| InChI | InChI=1S/C20H20O5/c1-10(2)12-5-6-13-8-16(25-20(13)23)18(11(3)4)17-9-14(19(21)22)15(7-12)24-17/h5-6,8-9,12,16,18H,1,3,7H2,2,4H3,(H,21,22)/b6-5-/t12-,16-,18-/m1/s1 |
| InChIKey | CJEQTQLEUNXVAT-UVOLWDLJSA-N |
| Molecular Weight | 340.375 g/mol |
| SMILES | OC(c1c2oc(c1)[C@@]([C@@]1(OC(=O)C(=C1)\C=C/[C@](C2)(C(=C)C)[H])[H])(C(=C)C)[H])=O |
| SPLASH | splash10-0059-3900000000-1d80e3076a897db9f81e |
| Source of Spectrum | E1-44-94-3 |
| Wiley ID | 1553363 |