| SpectraBase Compound ID | 821IXsGKsE6 |
|---|---|
| InChI | InChI=1S/C20H22O5/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/h8-9,12,16,18H,1,3,5-7H2,2,4H3,(H,21,22)/t12-,16-,18-/m1/s1 |
| InChIKey | MWPXGKCYXBBIKZ-XHBKTUGNSA-N |
| Mol Weight | 342.39 g/mol |
| Molecular Formula | C20H22O5 |
| Exact Mass | 342.146724 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FcUmKtug0Gc |
|---|---|
| Name | Pseudopteranoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H22O5 |
| InChI | InChI=1S/C20H22O5/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/h8-9,12,16,18H,1,3,5-7H2,2,4H3,(H,21,22)/t12-,16-,18-/m1/s1 |
| InChIKey | MWPXGKCYXBBIKZ-XHBKTUGNSA-N |
| Molecular Weight | 342.391 g/mol |
| SMILES | OC(c1c2oc(c1)[C@@]([C@@]1(OC(=O)C(=C1)CC[C@](C2)(C(=C)C)[H])[H])(C(=C)C)[H])=O |
| SPLASH | splash10-004i-2901000000-2765bd474912fd03cce5 |
| Source of Spectrum | E1-44-94-5 |
| Wiley ID | 1553361 |