| SpectraBase Compound ID | BbvW4cA0UA |
|---|---|
| InChI | InChI=1S/C17H18O4S/c1-17(2,3)16(19)21-13-7-4-6-12(10-13)20-15(18)11-14-8-5-9-22-14/h4-10H,11H2,1-3H3 |
| InChIKey | BFBOEQNYAJUBPA-UHFFFAOYSA-N |
| Mol Weight | 318.39 g/mol |
| Molecular Formula | C17H18O4S |
| Exact Mass | 318.09258 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LKZG82qzcbE |
|---|---|
| Name | 1,3-Benzenediol, o-pivaloyl-o'-(thiophen-2-acetyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.092580230 u |
| Formula | C17H18O4S |
| InChI | InChI=1S/C17H18O4S/c1-17(2,3)16(19)21-13-7-4-6-12(10-13)20-15(18)11-14-8-5-9-22-14/h4-10H,11H2,1-3H3 |
| InChIKey | BFBOEQNYAJUBPA-UHFFFAOYSA-N |
| Molecular Weight | 318.387 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(=O)CC=1SC=CC1)OC(C(C)(C)C)=O |