| SpectraBase Compound ID | CRNwhXoE4Y7 |
|---|---|
| InChI | InChI=1S/C10H16O4S/c1-14-10(11)7-3-2-5-9-6-4-8-15(9,12)13/h4,6,9H,2-3,5,7-8H2,1H3 |
| InChIKey | VJCLTNUQUGKQGJ-UHFFFAOYSA-N |
| Mol Weight | 232.29 g/mol |
| Molecular Formula | C10H16O4S |
| Exact Mass | 232.07693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4eUASuQH7JG |
|---|---|
| Name | 2-Thiophenepentanoic acid, 2,5-dihydro-, methyl ester, 1,1-dioxide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.076930165 u |
| Formula | C10H16O4S |
| InChI | InChI=1S/C10H16O4S/c1-14-10(11)7-3-2-5-9-6-4-8-15(9,12)13/h4,6,9H,2-3,5,7-8H2,1H3 |
| InChIKey | VJCLTNUQUGKQGJ-UHFFFAOYSA-N |
| Molecular Weight | 232.294 g/mol |
| SMILES | C1(S(CC=C1)(=O)=O)CCCCC(=O)OC |