| SpectraBase Compound ID | EQmh44avHoz |
|---|---|
| InChI | InChI=1S/C15H14O4S/c1-10(2)14(16)18-11-5-3-6-12(9-11)19-15(17)13-7-4-8-20-13/h3-10H,1-2H3 |
| InChIKey | HOANRWWIQBPVEL-UHFFFAOYSA-N |
| Mol Weight | 290.33 g/mol |
| Molecular Formula | C15H14O4S |
| Exact Mass | 290.06128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gc26stPXow4 |
|---|---|
| Name | 1,3-Benzenediol, o-isobutyryl-o'-(thiophene-2-carbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.061280101 u |
| Formula | C15H14O4S |
| InChI | InChI=1S/C15H14O4S/c1-10(2)14(16)18-11-5-3-6-12(9-11)19-15(17)13-7-4-8-20-13/h3-10H,1-2H3 |
| InChIKey | HOANRWWIQBPVEL-UHFFFAOYSA-N |
| SMILES | C1=C(C=C(C=C1)OC(=O)C=1SC=CC1)OC(C(C)C)=O |