| SpectraBase Compound ID | 6hymUQJB3Ee |
|---|---|
| InChI | InChI=1S/C16H19ClO4/c17-11-5-1-2-8-15(18)20-13-6-3-4-7-14(13)21-16(19)12-9-10-12/h3-4,6-7,12H,1-2,5,8-11H2 |
| InChIKey | GJWREIYQDZNEKS-UHFFFAOYSA-N |
| Mol Weight | 310.78 g/mol |
| Molecular Formula | C16H19ClO4 |
| Exact Mass | 310.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2oODueC7ZPu |
|---|---|
| Name | 1,2-Benzenediol, o-(6-chlorohexanoyl)-o'-cyclopropanecarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.097186788 u |
| Formula | C16H19ClO4 |
| InChI | InChI=1S/C16H19ClO4/c17-11-5-1-2-8-15(18)20-13-6-3-4-7-14(13)21-16(19)12-9-10-12/h3-4,6-7,12H,1-2,5,8-11H2 |
| InChIKey | GJWREIYQDZNEKS-UHFFFAOYSA-N |
| Molecular Weight | 310.777 g/mol |
| SMILES | C1(=CC=CC=C1OC(=O)CCCCCCl)OC(=O)C1CC1 |