![Propanoic acid, 2-[[(4-bromophenyl)sulfonyl]oxy]-, ethyl ester, (S)-](/api/spectrum/6sTSlhWeaxw/structure.png?h=300&w=458 "Propanoic acid, 2-[[(4-bromophenyl)sulfonyl]oxy]-, ethyl ester, (S)-")
| SpectraBase Compound ID | FQ2Dd1E5y3H |
|---|---|
| InChI | InChI=1S/C11H13BrO5S/c1-3-16-11(13)8(2)17-18(14,15)10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3 |
| InChIKey | PQNGWAMYMUDBRP-UHFFFAOYSA-N |
| Mol Weight | 337.18 g/mol |
| Molecular Formula | C11H13BrO5S |
| Exact Mass | 335.966708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6sTSlhWeaxw |
|---|---|
| Name | Propanoic acid, 2-[[(4-bromophenyl)sulfonyl]oxy]-, ethyl ester, (S)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.966707688 u |
| Formula | C11H13BrO5S |
| InChI | InChI=1S/C11H13BrO5S/c1-3-16-11(13)8(2)17-18(14,15)10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3 |
| InChIKey | PQNGWAMYMUDBRP-UHFFFAOYSA-N |
| Molecular Weight | 337.184 g/mol |
| SMILES | C(OS(C=1C=CC(=CC1)Br)(=O)=O)(C(=O)OCC)C |