| SpectraBase Compound ID | Ha9tuvYKpck |
|---|---|
| InChI | InChI=1S/C16H10O4S/c17-12(13-6-3-7-21-13)8-11-14(18)9-4-1-2-5-10(9)15(19)16(11)20/h1-7,20H,8H2 |
| InChIKey | YAEFGOUYMNZEED-UHFFFAOYSA-N |
| Mol Weight | 298.31 g/mol |
| Molecular Formula | C16H10O4S |
| Exact Mass | 298.02998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6rhCybbXsB |
|---|---|
| Name | 2-Hydroxy-3-(2-thenoylmethyl)-1,4-naphthoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.029979972 u |
| Formula | C16H10O4S |
| InChI | InChI=1S/C16H10O4S/c17-12(13-6-3-7-21-13)8-11-14(18)9-4-1-2-5-10(9)15(19)16(11)20/h1-7,20H,8H2 |
| InChIKey | YAEFGOUYMNZEED-UHFFFAOYSA-N |
| Molecular Weight | 298.312 g/mol |
| SMILES | C1(C2=CC=CC=C2C(C(=C1CC(C1=CC=CS1)=O)O)=O)=O |