| SpectraBase Compound ID | IyOcOS4z1M4 |
|---|---|
| InChI | InChI=1S/C16H20Cl2O4/c17-11-5-3-9-15(19)21-13-7-1-2-8-14(13)22-16(20)10-4-6-12-18/h1-2,7-8H,3-6,9-12H2 |
| InChIKey | NHFSIFLTFNEXGN-UHFFFAOYSA-N |
| Mol Weight | 347.24 g/mol |
| Molecular Formula | C16H20Cl2O4 |
| Exact Mass | 346.073865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjwLuI0bELh |
|---|---|
| Name | 1,2-Benzenediol, o,o'-di(5-chlorovaleryl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.073864520 u |
| Formula | C16H20Cl2O4 |
| InChI | InChI=1S/C16H20Cl2O4/c17-11-5-3-9-15(19)21-13-7-1-2-8-14(13)22-16(20)10-4-6-12-18/h1-2,7-8H,3-6,9-12H2 |
| InChIKey | NHFSIFLTFNEXGN-UHFFFAOYSA-N |
| Molecular Weight | 347.238 g/mol |
| SMILES | C(CCCC(OC=1C(=CC=CC1)OC(CCCCCl)=O)=O)Cl |