| SpectraBase Compound ID | 1lV3tu2DQES |
|---|---|
| InChI | InChI=1S/C22H18O6/c1-12(23)26-18-9-8-14(24)20-15(25)10-11-22(21(18)20)27-16-6-2-4-13-5-3-7-17(28-22)19(13)16/h2-11,14,18,20-21,24H,1H3/t14-,18+,20-,21+/m0/s1 |
| InChIKey | AALXDTGORXRTKX-FCEUTRGCSA-N |
| Mol Weight | 378.38 g/mol |
| Molecular Formula | C22H18O6 |
| Exact Mass | 378.110338 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1m6SwauwuKF |
|---|---|
| Name | Decaspirone D |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H18O6 |
| InChI | InChI=1S/C22H18O6/c1-12(23)26-18-9-8-14(24)20-15(25)10-11-22(21(18)20)27-16-6-2-4-13-5-3-7-17(28-22)19(13)16/h2-11,14,18,20-21,24H,1H3/t14-,18+,20-,21+/m0/s1 |
| InChIKey | AALXDTGORXRTKX-FCEUTRGCSA-N |
| Molecular Weight | 378.380 g/mol |
| SMILES | O[C@@]1([C@@]2([C@](C3(Oc4c5c(ccc4)cccc5O3)C=CC2=O)([C@@](C=C1)(OC(=O)C)[H])[H])[H])[H] |
| SPLASH | splash10-03di-0901000000-090939051000cdfaed47 |
| Source of Spectrum | G4-69-1670-4 |
| Wiley ID | 1694591 |