![Furane-2-thiocarboxylic acid, S-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl] ester](/api/spectrum/JfzVttZamtk/structure.png?h=300&w=458 "Furane-2-thiocarboxylic acid, S-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl] ester")
| SpectraBase Compound ID | BGYaOU5s0PR |
|---|---|
| InChI | InChI=1S/C13H7BrN2O3S/c14-9-4-1-3-8(7-9)11-15-16-13(19-11)20-12(17)10-5-2-6-18-10/h1-7H |
| InChIKey | HETWKDNKWUJZMZ-UHFFFAOYSA-N |
| Mol Weight | 351.17 g/mol |
| Molecular Formula | C13H7BrN2O3S |
| Exact Mass | 349.936076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JfzVttZamtk |
|---|---|
| Name | Furane-2-thiocarboxylic acid, S-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl] ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.936076264 u |
| Formula | C13H7BrN2O3S |
| InChI | InChI=1S/C13H7BrN2O3S/c14-9-4-1-3-8(7-9)11-15-16-13(19-11)20-12(17)10-5-2-6-18-10/h1-7H |
| InChIKey | HETWKDNKWUJZMZ-UHFFFAOYSA-N |
| Molecular Weight | 351.174 g/mol |
| SMILES | C=1(OC(C2=CC=CC(=C2)Br)=NN1)SC(C=1OC=CC1)=O |