| SpectraBase Compound ID | CCRE0z9qBXm |
|---|---|
| InChI | InChI=1S/C15H19ClO5/c1-2-19-14(17)8-5-9-15(18)21-11-10-20-13-7-4-3-6-12(13)16/h3-4,6-7H,2,5,8-11H2,1H3 |
| InChIKey | LRLXSDHDRHCKHK-UHFFFAOYSA-N |
| Mol Weight | 314.77 g/mol |
| Molecular Formula | C15H19ClO5 |
| Exact Mass | 314.092101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9xwf1nni2aF |
|---|---|
| Name | Glutaric acid, 2-(2-chlorophenoxy)ethyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.092101407 u |
| Formula | C15H19ClO5 |
| InChI | InChI=1S/C15H19ClO5/c1-2-19-14(17)8-5-9-15(18)21-11-10-20-13-7-4-3-6-12(13)16/h3-4,6-7H,2,5,8-11H2,1H3 |
| InChIKey | LRLXSDHDRHCKHK-UHFFFAOYSA-N |
| Molecular Weight | 314.765 g/mol |
| SMILES | C(OCCOC1=C(C=CC=C1)Cl)(=O)CCCC(OCC)=O |