| SpectraBase Compound ID | 5iyU9FKpHvD |
|---|---|
| InChI | InChI=1S/C14H17ClO5/c1-2-3-8-19-13(16)9-18-10-14(17)20-12-7-5-4-6-11(12)15/h4-7H,2-3,8-10H2,1H3 |
| InChIKey | DLYBAUBUTXXIFN-UHFFFAOYSA-N |
| Mol Weight | 300.74 g/mol |
| Molecular Formula | C14H17ClO5 |
| Exact Mass | 300.076451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | INHzAbeTQEt |
|---|---|
| Name | Diglycolic acid, butyl 2-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.076451342 u |
| Formula | C14H17ClO5 |
| InChI | InChI=1S/C14H17ClO5/c1-2-3-8-19-13(16)9-18-10-14(17)20-12-7-5-4-6-11(12)15/h4-7H,2-3,8-10H2,1H3 |
| InChIKey | DLYBAUBUTXXIFN-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCCCC)(=O)OC1=C(C=CC=C1)Cl |