![1-(2-Thioxobenzo[d]oxazol-3(2H)-yl)propan-1-one](/api/spectrum/ESRnv9VqE31/structure.png?h=300&w=458 "1-(2-Thioxobenzo[d]oxazol-3(2H)-yl)propan-1-one")
| SpectraBase Compound ID | 99EVR6FjsD |
|---|---|
| InChI | InChI=1S/C10H9NO2S/c1-2-9(12)11-7-5-3-4-6-8(7)13-10(11)14/h3-6H,2H2,1H3 |
| InChIKey | SWRZXLFXZSPHML-UHFFFAOYSA-N |
| Mol Weight | 207.25 g/mol |
| Molecular Formula | C10H9NO2S |
| Exact Mass | 207.0354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESRnv9VqE31 |
|---|---|
| Name | 1-(2-Thioxobenzo[D]oxazol-3(2H)-yl)propan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.035399706 u |
| Formula | C10H9NO2S |
| InChI | InChI=1S/C10H9NO2S/c1-2-9(12)11-7-5-3-4-6-8(7)13-10(11)14/h3-6H,2H2,1H3 |
| InChIKey | SWRZXLFXZSPHML-UHFFFAOYSA-N |
| Molecular Weight | 207.247 g/mol |
| SMILES | C1(N(C=2C(O1)=CC=CC2)C(=O)CC)=S |