| SpectraBase Compound ID | 8tWcXCCCOOd |
|---|---|
| InChI | InChI=1S/C17H16O4S/c1-10-8-11-9-12-14(16(11)22-10)13(21-17(20)15(12)19)6-4-2-3-5-7-18/h2-4,6,8-9,13,18-19H,5,7H2,1H3/b3-2+,6-4- |
| InChIKey | RYITUELVDVMRLK-ZPYFUIHZSA-N |
| Mol Weight | 316.37 g/mol |
| Molecular Formula | C17H16O4S |
| Exact Mass | 316.07693 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Hty3Jyk20BP |
|---|---|
| Name | Xanthienopyran |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H16O4S |
| InChI | InChI=1S/C17H16O4S/c1-10-8-11-9-12-14(16(11)22-10)13(21-17(20)15(12)19)6-4-2-3-5-7-18/h2-4,6,8-9,13,18-19H,5,7H2,1H3/b3-2+,6-4- |
| InChIKey | RYITUELVDVMRLK-ZPYFUIHZSA-N |
| Molecular Weight | 316.371 g/mol |
| SMILES | OCC\C=C\C=C/C1C=2C(=C(C(O1)=O)O)C=C1C2SC(=C1)C |
| SPLASH | splash10-014i-0193000000-fa9b813c977366c64006 |
| Source of Spectrum | AT-36-8986-1 |
| Wiley ID | 853347 |