| SpectraBase Compound ID | BYVTSKfcvg9 |
|---|---|
| InChI | InChI=1S/C20H29ClO5/c1-2-3-4-5-6-7-8-13-25-19(22)15-24-16-20(23)26-14-17-9-11-18(21)12-10-17/h9-12H,2-8,13-16H2,1H3 |
| InChIKey | LCKGRVJKRUMRKM-UHFFFAOYSA-N |
| Mol Weight | 384.9 g/mol |
| Molecular Formula | C20H29ClO5 |
| Exact Mass | 384.170352 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EaRIQwnQEdP |
|---|---|
| Name | Diglycolic acid, 4-chlorobenzyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.170351729 u |
| Formula | C20H29ClO5 |
| InChI | InChI=1S/C20H29ClO5/c1-2-3-4-5-6-7-8-13-25-19(22)15-24-16-20(23)26-14-17-9-11-18(21)12-10-17/h9-12H,2-8,13-16H2,1H3 |
| InChIKey | LCKGRVJKRUMRKM-UHFFFAOYSA-N |
| Molecular Weight | 384.900 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCC)(=O)OCC1=CC=C(C=C1)Cl |