![4-[(4-Bromophenyl)sulfanyl]butanoic acid, methyl ester](/api/spectrum/4gN03QkAtfr/structure.png?h=300&w=458 "4-[(4-Bromophenyl)sulfanyl]butanoic acid, methyl ester")
| SpectraBase Compound ID | 6264J7glFfa |
|---|---|
| InChI | InChI=1S/C11H13BrO2S/c1-14-11(13)3-2-8-15-10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3 |
| InChIKey | OUPWZMKYZZQICW-UHFFFAOYSA-N |
| Mol Weight | 289.19 g/mol |
| Molecular Formula | C11H13BrO2S |
| Exact Mass | 287.981964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4gN03QkAtfr |
|---|---|
| Name | 4-[(4-Bromophenyl)sulfanyl]butanoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.981963831 u |
| Formula | C11H13BrO2S |
| InChI | InChI=1S/C11H13BrO2S/c1-14-11(13)3-2-8-15-10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3 |
| InChIKey | OUPWZMKYZZQICW-UHFFFAOYSA-N |
| SMILES | C(SC1=CC=C(C=C1)Br)CCC(=O)OC |