| SpectraBase Compound ID | 8iFbEDHtHAZ |
|---|---|
| InChI | InChI=1S/C18H11ClO4S/c19-13-9-7-12(8-10-13)17(20)22-14-4-1-2-5-15(14)23-18(21)16-6-3-11-24-16/h1-11H |
| InChIKey | BFYLKEDCXIVMML-UHFFFAOYSA-N |
| Mol Weight | 358.8 g/mol |
| Molecular Formula | C18H11ClO4S |
| Exact Mass | 358.006658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dk8yyMpznvH |
|---|---|
| Name | 1,2-Benzenediol, o-(4-chlorobenzoyl)-o'-(thiophene-2-carbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.006657704 u |
| Formula | C18H11ClO4S |
| InChI | InChI=1S/C18H11ClO4S/c19-13-9-7-12(8-10-13)17(20)22-14-4-1-2-5-15(14)23-18(21)16-6-3-11-24-16/h1-11H |
| InChIKey | BFYLKEDCXIVMML-UHFFFAOYSA-N |
| Molecular Weight | 358.795 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OC1=CC=CC=C1OC(=O)C1=CC=CS1)=O)Cl |