![Benzo[b]-6,8a-dihydroisothiochromano[7,8-d]-6H-pyran-6-onecarboxylic Acid Methyl Ester](/api/spectrum/4XzZvQcdnHN/structure.png?h=300&w=458 "Benzo[b]-6,8a-dihydroisothiochromano[7,8-d]-6H-pyran-6-onecarboxylic Acid Methyl Ester")
| SpectraBase Compound ID | 9OsB3NTPqgo |
|---|---|
| InChI | InChI=1S/C18H16O4S/c1-21-17(19)12-8-13-16(14-9-23-7-6-10(12)14)11-4-2-3-5-15(11)22-18(13)20/h2-5,14H,6-9H2,1H3 |
| InChIKey | RRFVIXFMDSJWJJ-UHFFFAOYSA-N |
| Mol Weight | 328.38 g/mol |
| Molecular Formula | C18H16O4S |
| Exact Mass | 328.07693 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4XzZvQcdnHN |
|---|---|
| Name | Benzo[b]-6,8a-dihydroisothiochromano[7,8-d]-6H-pyran-6-onecarboxylic Acid Methyl Ester |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H16O4S |
| InChI | InChI=1S/C18H16O4S/c1-21-17(19)12-8-13-16(14-9-23-7-6-10(12)14)11-4-2-3-5-15(11)22-18(13)20/h2-5,14H,6-9H2,1H3 |
| InChIKey | RRFVIXFMDSJWJJ-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/jo201775e |
| Molecular Weight | 328.382 g/mol |
| SMILES | c1cccc2c1OC(C=1CC(=C3C(C21)CSCC3)C(OC)=O)=O |
| SPLASH | splash10-03xr-9083000000-11aefacc2503468ffd66 |
| Source of Spectrum | J-76-9025-74a |
| Synonyms | Methyl 7-oxo-1,3,4,6,7,12c-hexahydroisothiochromeno[7,8-c]chromene-5-carboxylate 7-Oxo-3,4,6,12c-tetrahydro-1H-isothiochromeno[7,8-c][1]benzopyran-5-carboxylic acid methyl ester Methyl 7-oxo-3,4,6,12c-tetrahydro-1H-isothiochromeno[7,8-c]chromene-5-carboxylate Methyl 7-oxidanylidene-3,4,6,12c-tetrahydro-1H-isothiochromeno[7,8-c]chromene-5-carboxylate |
| Wiley ID | 1746959 |