| SpectraBase Compound ID | DVooWdMCY2R |
|---|---|
| InChI | InChI=1S/C11H16O3S/c1-6-5-9(15)11(10(13)14-2)7(6)3-4-8(11)12/h6-7,9,15H,3-5H2,1-2H3 |
| InChIKey | PTPWKWQUIUEIFL-UHFFFAOYSA-N |
| Mol Weight | 228.31 g/mol |
| Molecular Formula | C11H16O3S |
| Exact Mass | 228.082016 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ad1KT65dFDy |
|---|---|
| Name | Methyl 1-methyl-4-oxo-3-sulfanylhexahydro-3a(1H)-pentalenecarboxylate |
| CAS Registry Number | 125212-04-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H16O3S |
| InChI | InChI=1S/C11H16O3S/c1-6-5-9(15)11(10(13)14-2)7(6)3-4-8(11)12/h6-7,9,15H,3-5H2,1-2H3 |
| InChIKey | PTPWKWQUIUEIFL-UHFFFAOYSA-N |
| Molecular Weight | 228.306 g/mol |
| SMILES | SC1C2(C(CCC2=O)C(C1)C)C(=O)OC |
| SPLASH | splash10-014r-0910000000-72d28391c8e14de601bc |
| Source of Spectrum | B-42-1467-14 |
| Synonyms | 3-Mercapto-1-methyl-4-oxo-1,2,3,5,6,6a-hexahydropentalene-3a-carboxylic acid methyl ester 4-keto-3-mercapto-1-methyl-1,2,3,5,6,6a-hexahydropentalene-3a-carboxylic acid methyl ester Bicyclo[3.3.0]octane-1-carboxylic acid, 2-mercapto-4-methyl-8-oxo-,methyl ester, (1RS,2RS,4RS,5SR)- Methyl 1-methyl-4-oxidanylidene-3-sulfanyl-1,2,3,5,6,6a-hexahydropentalene-3a-carboxylate Methyl 1-methyl-4-oxo-3-sulfanyl-1,2,3,5,6,6a-hexahydropentalene-3a-carboxylate |
| Wiley ID | 1229359 |