| SpectraBase Compound ID | K3jHo7PeEYC |
|---|---|
| InChI | InChI=1S/C11H10BrNO2S/c1-16-9-6-10(14)13(11(9)15)8-4-2-7(12)3-5-8/h2-5,9H,6H2,1H3 |
| InChIKey | COEQVLIIRSNIMU-UHFFFAOYSA-N |
| Mol Weight | 300.17 g/mol |
| Molecular Formula | C11H10BrNO2S |
| Exact Mass | 298.961563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I6AMjySc8Jv |
|---|---|
| Name | 1-(4-Bromophenyl)-3-(methylthio)-2,5-pyrrolidinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.961562738 u |
| Formula | C11H10BrNO2S |
| InChI | InChI=1S/C11H10BrNO2S/c1-16-9-6-10(14)13(11(9)15)8-4-2-7(12)3-5-8/h2-5,9H,6H2,1H3 |
| InChIKey | COEQVLIIRSNIMU-UHFFFAOYSA-N |
| Molecular Weight | 300.170 g/mol |
| SMILES | C1(=CC=C(C=C1)Br)N1C(=O)C(SC)CC1=O |