| SpectraBase Compound ID | AXJj8TizZrM |
|---|---|
| InChI | InChI=1S/C16H16O3S/c1-19-15(17)9-5-8-13-10-11-14(20-13)16(18)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3 |
| InChIKey | JVUDPKZRBVFNEL-UHFFFAOYSA-N |
| Mol Weight | 288.36 g/mol |
| Molecular Formula | C16H16O3S |
| Exact Mass | 288.082016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H5FhwmllYAA |
|---|---|
| Name | Methyl 4-(5-benzoyl-2-thienyl)butyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.082015546 u |
| Formula | C16H16O3S |
| InChI | InChI=1S/C16H16O3S/c1-19-15(17)9-5-8-13-10-11-14(20-13)16(18)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3 |
| InChIKey | JVUDPKZRBVFNEL-UHFFFAOYSA-N |
| SMILES | C=1(SC(CCCC(=O)OC)=CC1)C(=O)C=1C=CC=CC1 |