![Benzoxazole, 2-[[(4-bromophenyl)methyl]thio]-](/api/spectrum/6uKxffXymQg/structure.png?h=300&w=458 "Benzoxazole, 2-[[(4-bromophenyl)methyl]thio]-")
| SpectraBase Compound ID | Ck4KOWk7pPB |
|---|---|
| InChI | InChI=1S/C14H10BrNOS/c15-11-7-5-10(6-8-11)9-18-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2 |
| InChIKey | JDVOIBFEFVKUPL-UHFFFAOYSA-N |
| Mol Weight | 320.2 g/mol |
| Molecular Formula | C14H10BrNOS |
| Exact Mass | 318.966648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6uKxffXymQg |
|---|---|
| Name | Benzoxazole, 2-[[(4-bromophenyl)methyl]thio]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.966648119 u |
| Formula | C14H10BrNOS |
| InChI | InChI=1S/C14H10BrNOS/c15-11-7-5-10(6-8-11)9-18-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2 |
| InChIKey | JDVOIBFEFVKUPL-UHFFFAOYSA-N |
| Molecular Weight | 320.204 g/mol |
| SMILES | C1(=NC=2C=CC=CC2O1)SCC=1C=CC(=CC1)Br |