| SpectraBase Compound ID | FCEbllXGui8 |
|---|---|
| InChI | InChI=1S/C16H14O4S/c1-11(17)21-15-6-4-3-5-14(15)16(18)20-13-9-7-12(19-2)8-10-13/h3-10H,1-2H3 |
| InChIKey | FZRSXSKIUSDGBC-UHFFFAOYSA-N |
| Mol Weight | 302.34 g/mol |
| Molecular Formula | C16H14O4S |
| Exact Mass | 302.06128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7t7KMocXxUt |
|---|---|
| Name | p-Methoxyphenyl 2-(acetylthio)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.061280101 u |
| Formula | C16H14O4S |
| InChI | InChI=1S/C16H14O4S/c1-11(17)21-15-6-4-3-5-14(15)16(18)20-13-9-7-12(19-2)8-10-13/h3-10H,1-2H3 |
| InChIKey | FZRSXSKIUSDGBC-UHFFFAOYSA-N |
| Molecular Weight | 302.344 g/mol |
| SMILES | C(C=1C(=CC=CC1)SC(=O)C)(=O)OC=1C=CC(=CC1)OC |