| SpectraBase Compound ID | LQv3B7rZhVB |
|---|---|
| InChI | InChI=1S/C12H10O4S/c1-16-10-6-9(13)11(14)8(12(10)15)5-7-3-2-4-17-7/h2-4,6,14H,5H2,1H3 |
| InChIKey | RTSLDCILHRFDTL-UHFFFAOYSA-N |
| Mol Weight | 250.27 g/mol |
| Molecular Formula | C12H10O4S |
| Exact Mass | 250.02998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H1cXQi1yDik |
|---|---|
| Name | 2-Hydroxy-3-(thiophen-2-yl)methyl-5-methoxy-1,4-benzoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.029979972 u |
| Formula | C12H10O4S |
| InChI | InChI=1S/C12H10O4S/c1-16-10-6-9(13)11(14)8(12(10)15)5-7-3-2-4-17-7/h2-4,6,14H,5H2,1H3 |
| InChIKey | RTSLDCILHRFDTL-UHFFFAOYSA-N |
| Molecular Weight | 250.268 g/mol |
| SMILES | C=1(SC=CC1)CC=1C(C(=CC(C1O)=O)OC)=O |