| SpectraBase Compound ID | Gd94JVwA8Sp |
|---|---|
| InChI | InChI=1S/C16H16O4S/c1-2-3-9-15(17)19-12-6-4-7-13(11-12)20-16(18)14-8-5-10-21-14/h4-8,10-11H,2-3,9H2,1H3 |
| InChIKey | BVOKNWMLWUVRSU-UHFFFAOYSA-N |
| Mol Weight | 304.36 g/mol |
| Molecular Formula | C16H16O4S |
| Exact Mass | 304.07693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4G7yaYodlsT |
|---|---|
| Name | 1,3-Benzenediol, o-(thiophene-2-acetyl)-o'-valeryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.076930165 u |
| Formula | C16H16O4S |
| InChI | InChI=1S/C16H16O4S/c1-2-3-9-15(17)19-12-6-4-7-13(11-12)20-16(18)14-8-5-10-21-14/h4-8,10-11H,2-3,9H2,1H3 |
| InChIKey | BVOKNWMLWUVRSU-UHFFFAOYSA-N |
| Molecular Weight | 304.360 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(C=1SC=CC1)=O)OC(CCCC)=O |