| SpectraBase Compound ID | 2Pl7kMclGWS |
|---|---|
| InChI | InChI=1S/C14H11BrN2OS/c1-8-9(2)19-14(11(8)7-16)17-13(18)10-5-3-4-6-12(10)15/h3-6H,1-2H3,(H,17,18) |
| InChIKey | JVSZJPGPOKKWSN-UHFFFAOYSA-N |
| Mol Weight | 335.22 g/mol |
| Molecular Formula | C14H11BrN2OS |
| Exact Mass | 333.977547 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6KG52VZa3No |
|---|---|
| Name | Benzamide, 2-bromo-N-(3-cyano-4,5-dimethylthien-2-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.977547155 u |
| Formula | C14H11BrN2OS |
| InChI | InChI=1S/C14H11BrN2OS/c1-8-9(2)19-14(11(8)7-16)17-13(18)10-5-3-4-6-12(10)15/h3-6H,1-2H3,(H,17,18) |
| InChIKey | JVSZJPGPOKKWSN-UHFFFAOYSA-N |
| Molecular Weight | 335.219 g/mol |
| SMILES | C1(=C(SC(=C1C#N)NC(=O)C1=C(C=CC=C1)Br)C)C |