| SpectraBase Compound ID | 6gl6haJP3ih |
|---|---|
| InChI | InChI=1S/C13H24O5/c1-5-6-7-17-11(14)8-16-9-12(15)18-10-13(2,3)4/h5-10H2,1-4H3 |
| InChIKey | BDQWQSZWDUICRI-UHFFFAOYSA-N |
| Mol Weight | 260.33 g/mol |
| Molecular Formula | C13H24O5 |
| Exact Mass | 260.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7pI09bg3wry |
|---|---|
| Name | Diglycolic acid, butyl 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/c1-5-6-7-17-11(14)8-16-9-12(15)18-10-13(2,3)4/h5-10H2,1-4H3 |
| InChIKey | BDQWQSZWDUICRI-UHFFFAOYSA-N |
| Molecular Weight | 260.330 g/mol |
| SMILES | C(COCC(=O)OCCCC)(=O)OCC(C)(C)C |