| SpectraBase Compound ID | 7MDOv7mBXhB |
|---|---|
| InChI | InChI=1S/C18H17ClO4/c1-3-13-8-10-14(11-9-13)18(21)23-16-7-5-4-6-15(16)22-17(20)12(2)19/h4-12H,3H2,1-2H3 |
| InChIKey | GBGHQQXGOOZVQI-UHFFFAOYSA-N |
| Mol Weight | 332.78 g/mol |
| Molecular Formula | C18H17ClO4 |
| Exact Mass | 332.081537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNIk0ceDeu0 |
|---|---|
| Name | 1,2-Benzenediol, o-(2-chloropropionyl)-o'-(4-ethylbenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.081536723 u |
| Formula | C18H17ClO4 |
| InChI | InChI=1S/C18H17ClO4/c1-3-13-8-10-14(11-9-13)18(21)23-16-7-5-4-6-15(16)22-17(20)12(2)19/h4-12H,3H2,1-2H3 |
| InChIKey | GBGHQQXGOOZVQI-UHFFFAOYSA-N |
| Molecular Weight | 332.783 g/mol |
| SMILES | C1(=CC=CC=C1OC(C=1C=CC(CC)=CC1)=O)OC(C(Cl)C)=O |