| SpectraBase Compound ID | 3QtLZ6h3DRO |
|---|---|
| InChI | InChI=1S/C14H16BrNO2S/c1-2-3-8-19-12-9-13(17)16(14(12)18)11-6-4-10(15)5-7-11/h4-7,12H,2-3,8-9H2,1H3 |
| InChIKey | RYPYLRDDRPAUDX-UHFFFAOYSA-N |
| Mol Weight | 342.25 g/mol |
| Molecular Formula | C14H16BrNO2S |
| Exact Mass | 341.008513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5g8VG5KC3Jf |
|---|---|
| Name | 1-(4-Bromophenyl)-3-(butylsulfanyl)-2,5-pyrrolidinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.008512931 u |
| Formula | C14H16BrNO2S |
| InChI | InChI=1S/C14H16BrNO2S/c1-2-3-8-19-12-9-13(17)16(14(12)18)11-6-4-10(15)5-7-11/h4-7,12H,2-3,8-9H2,1H3 |
| InChIKey | RYPYLRDDRPAUDX-UHFFFAOYSA-N |
| Molecular Weight | 342.251 g/mol |
| SMILES | CCCCSC1C(N(C(C1)=O)C1=CC=C(C=C1)Br)=O |