| SpectraBase Compound ID | BhdXIeE772H |
|---|---|
| InChI | InChI=1S/C16H18O2S/c1-11-13(15(17)18-16(2,3)4)10-14(19-11)12-8-6-5-7-9-12/h5-10H,1-4H3 |
| InChIKey | UXHKJDLSNHSWJH-UHFFFAOYSA-N |
| Mol Weight | 274.38 g/mol |
| Molecular Formula | C16H18O2S |
| Exact Mass | 274.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 689r6iIYYGf |
|---|---|
| Name | Tert-butyl 2-methyl-5-phenylthiophene-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.102750992 u |
| Formula | C16H18O2S |
| InChI | InChI=1S/C16H18O2S/c1-11-13(15(17)18-16(2,3)4)10-14(19-11)12-8-6-5-7-9-12/h5-10H,1-4H3 |
| InChIKey | UXHKJDLSNHSWJH-UHFFFAOYSA-N |
| SMILES | CC=1SC(=CC1C(=O)OC(C)(C)C)C=1C=CC=CC1 |