![Benzyl [4'-nitrophenylthio]-acetate](/api/spectrum/KWpFrkKKbSe/structure.png?h=300&w=458 "Benzyl [4'-nitrophenylthio]-acetate")
| SpectraBase Compound ID | 4BYHEM1940q |
|---|---|
| InChI | InChI=1S/C15H13NO4S/c17-15(20-10-12-4-2-1-3-5-12)11-21-14-8-6-13(7-9-14)16(18)19/h1-9H,10-11H2 |
| InChIKey | AYZMPXWGGVAKKW-UHFFFAOYSA-N |
| Mol Weight | 303.33 g/mol |
| Molecular Formula | C15H13NO4S |
| Exact Mass | 303.056529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KWpFrkKKbSe |
|---|---|
| Name | Benzyl [4'-nitrophenylthio]-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.056529073 u |
| Formula | C15H13NO4S |
| InChI | InChI=1S/C15H13NO4S/c17-15(20-10-12-4-2-1-3-5-12)11-21-14-8-6-13(7-9-14)16(18)19/h1-9H,10-11H2 |
| InChIKey | AYZMPXWGGVAKKW-UHFFFAOYSA-N |
| Molecular Weight | 303.332 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(SCC(=O)OCC=2C=CC=CC2)C=C1 |