| SpectraBase Compound ID | 10LNc9MpazB |
|---|---|
| InChI | InChI=1S/C18H11ClO5/c19-15-8-2-1-7-14(15)17(20)23-12-5-3-6-13(11-12)24-18(21)16-9-4-10-22-16/h1-11H |
| InChIKey | PAAWNQGTVQTHGC-UHFFFAOYSA-N |
| Mol Weight | 342.73 g/mol |
| Molecular Formula | C18H11ClO5 |
| Exact Mass | 342.029501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1nim9D8G2Fj |
|---|---|
| Name | 1,3-Benzenediol, o-(2-chlorobenzoyl)-o'-(2-furoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.029501149 u |
| Formula | C18H11ClO5 |
| InChI | InChI=1S/C18H11ClO5/c19-15-8-2-1-7-14(15)17(20)23-12-5-3-6-13(11-12)24-18(21)16-9-4-10-22-16/h1-11H |
| InChIKey | PAAWNQGTVQTHGC-UHFFFAOYSA-N |
| Molecular Weight | 342.734 g/mol |
| SMILES | C1=C(C=CC=C1OC(=O)C1=CC=CC=C1Cl)OC(=O)C=1OC=CC1 |