| SpectraBase Compound ID | 4RdkjxSMjGS |
|---|---|
| InChI | InChI=1S/C10H12O4S/c1-3-14-10(11)8-5-4-6-9(7-8)15(2,12)13/h4-7H,3H2,1-2H3 |
| InChIKey | XCBPURUOABFDDU-UHFFFAOYSA-N |
| Mol Weight | 228.26 g/mol |
| Molecular Formula | C10H12O4S |
| Exact Mass | 228.04563 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J2kvgB5cwJp |
|---|---|
| Name | Ethyl 3-methylsulfonylbenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H12O4S |
| InChI | InChI=1S/C10H12O4S/c1-3-14-10(11)8-5-4-6-9(7-8)15(2,12)13/h4-7H,3H2,1-2H3 |
| InChIKey | XCBPURUOABFDDU-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 228.262 g/mol |
| SMILES | CCOC(=O)c1cccc(c1)S(C)(=O)=O |
| SPLASH | splash10-004i-9400000000-f86fb7b278752565713f |
| Source of Spectrum | SRH-2022-9598-0 |
| Wiley ID | 1831245 |