| SpectraBase Compound ID | 39wQBFnFk9o |
|---|---|
| InChI | InChI=1S/C15H10BrNO2S/c16-11-7-5-10(6-8-11)13(18)9-20-15-17-12-3-1-2-4-14(12)19-15/h1-8H,9H2 |
| InChIKey | MRDNHYLTHWKOEU-UHFFFAOYSA-N |
| Mol Weight | 348.21 g/mol |
| Molecular Formula | C15H10BrNO2S |
| Exact Mass | 346.961563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5KtG15Ba7sN |
|---|---|
| Name | 2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.961562738 u |
| Formula | C15H10BrNO2S |
| InChI | InChI=1S/C15H10BrNO2S/c16-11-7-5-10(6-8-11)13(18)9-20-15-17-12-3-1-2-4-14(12)19-15/h1-8H,9H2 |
| InChIKey | MRDNHYLTHWKOEU-UHFFFAOYSA-N |
| Molecular Weight | 348.214 g/mol |
| SMILES | C1(=NC=2C=CC=CC2O1)SCC(C1=CC=C(C=C1)Br)=O |