| SpectraBase Compound ID | AivZwgFTkdf |
|---|---|
| InChI | InChI=1S/C17H23ClO5/c1-2-3-4-5-10-22-16(19)12-21-13-17(20)23-11-14-6-8-15(18)9-7-14/h6-9H,2-5,10-13H2,1H3 |
| InChIKey | UYQDRSZOPXMLML-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 | ASgDaLc0Ene |
|---|---|
| Name | Diglycolic acid, 4-chlorobenzyl hexyl 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/c1-2-3-4-5-10-22-16(19)12-21-13-17(20)23-11-14-6-8-15(18)9-7-14/h6-9H,2-5,10-13H2,1H3 |
| InChIKey | UYQDRSZOPXMLML-UHFFFAOYSA-N |
| Molecular Weight | 342.819 g/mol |
| SMILES | C(COCC(=O)OCCCCCC)(=O)OCC1=CC=C(C=C1)Cl |