| SpectraBase Compound ID | 5gCRjymg2jh |
|---|---|
| InChI | InChI=1S/C13H24O5/c1-4-6-11(3)8-18-13(15)10-16-9-12(14)17-7-5-2/h11H,4-10H2,1-3H3 |
| InChIKey | CGNUYVGKXZTYKW-UHFFFAOYSA-N |
| Mol Weight | 260.33 g/mol |
| Molecular Formula | C13H24O5 |
| Exact Mass | 260.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AAUKEh9GUyx |
|---|---|
| Name | Diglycolic acid, 2-methylpentyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.162373868 u |
| Formula | C13H24O5 |
| InChI | InChI=1S/C13H24O5/c1-4-6-11(3)8-18-13(15)10-16-9-12(14)17-7-5-2/h11H,4-10H2,1-3H3 |
| InChIKey | CGNUYVGKXZTYKW-UHFFFAOYSA-N |
| Molecular Weight | 260.330 g/mol |
| SMILES | C(COCC(=O)OCCC)(=O)OCC(C)CCC |