| SpectraBase Compound ID | 2cHQhrp6Ynp |
|---|---|
| InChI | InChI=1S/C13H24O5/c1-10(2)6-17-11(14)7-16-8-12(15)18-9-13(3,4)5/h10H,6-9H2,1-5H3 |
| InChIKey | JWUXQOVRODNNGU-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 | Xby7H7Rkjm |
|---|---|
| Name | Diglycolic acid, isobutyl neopentyl 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/c1-10(2)6-17-11(14)7-16-8-12(15)18-9-13(3,4)5/h10H,6-9H2,1-5H3 |
| InChIKey | JWUXQOVRODNNGU-UHFFFAOYSA-N |
| Molecular Weight | 260.330 g/mol |
| SMILES | C(COCC(=O)OCC(C)C)(=O)OCC(C)(C)C |