| SpectraBase Compound ID | 58uK1f64WPV |
|---|---|
| InChI | InChI=1S/C14H17ClO4/c1-2-3-8-13(16)18-11-6-4-5-7-12(11)19-14(17)9-10-15/h4-7H,2-3,8-10H2,1H3 |
| InChIKey | PDSSYNVARSHNBL-UHFFFAOYSA-N |
| Mol Weight | 284.74 g/mol |
| Molecular Formula | C14H17ClO4 |
| Exact Mass | 284.081537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LqJpmZ0ILI2 |
|---|---|
| Name | 1,2-Benzenediol, o-(3-chloropropionyl)-o'-valeryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.081536723 u |
| Formula | C14H17ClO4 |
| InChI | InChI=1S/C14H17ClO4/c1-2-3-8-13(16)18-11-6-4-5-7-12(11)19-14(17)9-10-15/h4-7H,2-3,8-10H2,1H3 |
| InChIKey | PDSSYNVARSHNBL-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1OC(=O)CCCl)OC(CCCC)=O |