![2-Thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid](/api/spectrum/E0NwyljCFSn/structure.png?h=300&w=458 "2-Thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid")
| SpectraBase Compound ID | 6TjzKjCIChL |
|---|---|
| InChI | InChI=1S/C7H8O3S/c8-4-1-5-6(4)3(2-11-5)7(9)10/h3,5-6H,1-2H2,(H,9,10) |
| InChIKey | SMSPBCCVSMTEEI-UHFFFAOYSA-N |
| Mol Weight | 172.2 g/mol |
| Molecular Formula | C7H8O3S |
| Exact Mass | 172.019415 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E0NwyljCFSn |
|---|---|
| Name | 2-Thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H8O3S |
| InChI | InChI=1S/C7H8O3S/c8-4-1-5-6(4)3(2-11-5)7(9)10/h3,5-6H,1-2H2,(H,9,10) |
| InChIKey | SMSPBCCVSMTEEI-UHFFFAOYSA-N |
| Molecular Weight | 172.198 g/mol |
| SMILES | OC(C1C2C(=O)CC2SC1)=O |
| SPLASH | splash10-0019-8900000000-177b34f9ff9a060a0e81 |
| Source of Spectrum | J-73-6980-20 |
| Wiley ID | 1668624 |