![Ethyl 2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylate](/api/spectrum/1nplhIEmucw/structure.png?h=300&w=458 "Ethyl 2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylate")
| SpectraBase Compound ID | IBBYJFUZ9VP |
|---|---|
| InChI | InChI=1S/C9H12O3S/c1-2-12-9(11)5-4-13-7-3-6(10)8(5)7/h5,7-8H,2-4H2,1H3 |
| InChIKey | QMEHAVKUPUYSMR-UHFFFAOYSA-N |
| Mol Weight | 200.25 g/mol |
| Molecular Formula | C9H12O3S |
| Exact Mass | 200.050715 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1nplhIEmucw |
|---|---|
| Name | Ethyl 2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12O3S |
| InChI | InChI=1S/C9H12O3S/c1-2-12-9(11)5-4-13-7-3-6(10)8(5)7/h5,7-8H,2-4H2,1H3 |
| InChIKey | QMEHAVKUPUYSMR-UHFFFAOYSA-N |
| Molecular Weight | 200.252 g/mol |
| SMILES | C12C(C(=O)OCC)CSC2CC1=O |
| SPLASH | splash10-03fs-0900000000-951275ad0d83f42b6800 |
| Source of Spectrum | J-73-6982-27 |
| Wiley ID | 1711294 |