![2-[(4-Methoxyphenyl)thio]-4-methyl-4-pentenoic acid ethyl ester](/api/spectrum/Je2HsOcc7Le/structure.png?h=300&w=458 "2-[(4-Methoxyphenyl)thio]-4-methyl-4-pentenoic acid ethyl ester")
| SpectraBase Compound ID | D1dvb2ngPto |
|---|---|
| InChI | InChI=1S/C15H20O3S/c1-5-18-15(16)14(10-11(2)3)19-13-8-6-12(17-4)7-9-13/h6-9,14H,2,5,10H2,1,3-4H3 |
| InChIKey | BWZLPNQPNDMODT-UHFFFAOYSA-N |
| Mol Weight | 280.38 g/mol |
| Molecular Formula | C15H20O3S |
| Exact Mass | 280.113316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Je2HsOcc7Le |
|---|---|
| Name | 2-[(4-Methoxyphenyl)thio]-4-methyl-4-pentenoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.113315675 u |
| Formula | C15H20O3S |
| InChI | InChI=1S/C15H20O3S/c1-5-18-15(16)14(10-11(2)3)19-13-8-6-12(17-4)7-9-13/h6-9,14H,2,5,10H2,1,3-4H3 |
| InChIKey | BWZLPNQPNDMODT-UHFFFAOYSA-N |
| SMILES | C(C(=O)OCC)(SC=1C=CC(=CC1)OC)CC(=C)C |