| SpectraBase Compound ID | JYV0iMDF9tV |
|---|---|
| InChI | InChI=1S/C20H29ClO5/c1-2-3-4-5-6-7-8-11-14-25-19(22)15-24-16-20(23)26-18-13-10-9-12-17(18)21/h9-10,12-13H,2-8,11,14-16H2,1H3 |
| InChIKey | MFSHOHNEGYIUCU-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 | GcMRcaQTTnV |
|---|---|
| Name | Diglycolic acid, 2-chlorophenyl decyl 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/c1-2-3-4-5-6-7-8-11-14-25-19(22)15-24-16-20(23)26-18-13-10-9-12-17(18)21/h9-10,12-13H,2-8,11,14-16H2,1H3 |
| InChIKey | MFSHOHNEGYIUCU-UHFFFAOYSA-N |
| Molecular Weight | 384.900 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCC)(=O)OC1=C(C=CC=C1)Cl |