| SpectraBase Compound ID | 8h0NA0RJcpr |
|---|---|
| InChI | InChI=1S/C17H23ClO5/c1-2-3-11-22-16(19)9-6-10-17(20)23-13-12-21-15-8-5-4-7-14(15)18/h4-5,7-8H,2-3,6,9-13H2,1H3 |
| InChIKey | YADQGZCXUROKDI-UHFFFAOYSA-N |
| Mol Weight | 342.82 g/mol |
| Molecular Formula | C17H23ClO5 |
| Exact Mass | 342.123402 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HzAPX4IQevM |
|---|---|
| Name | Glutaric acid, butyl 2-(2-chlorophenoxy)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.123401536 u |
| Formula | C17H23ClO5 |
| InChI | InChI=1S/C17H23ClO5/c1-2-3-11-22-16(19)9-6-10-17(20)23-13-12-21-15-8-5-4-7-14(15)18/h4-5,7-8H,2-3,6,9-13H2,1H3 |
| InChIKey | YADQGZCXUROKDI-UHFFFAOYSA-N |
| Molecular Weight | 342.819 g/mol |
| SMILES | C(OCCOC1=C(C=CC=C1)Cl)(=O)CCCC(OCCCC)=O |