| SpectraBase Compound ID | jc1KhdlSuI |
|---|---|
| InChI | InChI=1S/C16H10O3S/c17-16-12-4-2-1-3-10(12)8-15(20-16)11-5-6-13-14(7-11)19-9-18-13/h1-8H,9H2 |
| InChIKey | CLRHZBBNDBUZEX-UHFFFAOYSA-N |
| Mol Weight | 282.31 g/mol |
| Molecular Formula | C16H10O3S |
| Exact Mass | 282.035065 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 87Le0WNnR10 |
|---|---|
| Name | 3-(1,3-Benzodioxol-5-yl)-1H-2-benzothiopyran-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H10O3S |
| InChI | InChI=1S/C16H10O3S/c17-16-12-4-2-1-3-10(12)8-15(20-16)11-5-6-13-14(7-11)19-9-18-13/h1-8H,9H2 |
| InChIKey | CLRHZBBNDBUZEX-UHFFFAOYSA-N |
| Molecular Weight | 282.313 g/mol |
| SMILES | C1(=Cc2c(C(S1)=O)cccc2)c1cc2OCOc2cc1 |
| SPLASH | splash10-001i-0090000000-dfcb233e82c50110349a |
| Source of Spectrum | SO-0-1134-4 |
| Wiley ID | 1541847 |