| SpectraBase Compound ID | 66f3CAm5msp |
|---|---|
| InChI | InChI=1S/C17H12BrNOS/c18-10-16(20)13-6-8-14(9-7-13)17-19-15(11-21-17)12-4-2-1-3-5-12/h1-9,11H,10H2 |
| InChIKey | NHRWLXUPGUOKEY-UHFFFAOYSA-N |
| Mol Weight | 358.25 g/mol |
| Molecular Formula | C17H12BrNOS |
| Exact Mass | 356.982298 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ICBpSKVTp4U |
|---|---|
| Name | 2-Bromo-4'-(4-phenyl-2-thiazolyl)acetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.982298183 u |
| Formula | C17H12BrNOS |
| InChI | InChI=1S/C17H12BrNOS/c18-10-16(20)13-6-8-14(9-7-13)17-19-15(11-21-17)12-4-2-1-3-5-12/h1-9,11H,10H2 |
| InChIKey | NHRWLXUPGUOKEY-UHFFFAOYSA-N |
| Molecular Weight | 358.253 g/mol |
| SMILES | C1(=NC(=CS1)C1=CC=CC=C1)C1=CC=C(C=C1)C(CBr)=O |