| SpectraBase Compound ID | A1Kvg84QC0s |
|---|---|
| InChI | InChI=1S/C26H50O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-24(27)21-29-22-25(28)31-23-26(2,3)4/h5-23H2,1-4H3 |
| InChIKey | YJXFUGFTIMTRNR-UHFFFAOYSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C26H50O5 |
| Exact Mass | 442.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DaYfcfSn3wy |
|---|---|
| Name | Diglycolic acid, heptadecyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.365824705 u |
| Formula | C26H50O5 |
| InChI | InChI=1S/C26H50O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-24(27)21-29-22-25(28)31-23-26(2,3)4/h5-23H2,1-4H3 |
| InChIKey | YJXFUGFTIMTRNR-UHFFFAOYSA-N |
| Molecular Weight | 442.681 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCCCCCCCCC)(=O)OCC(C)(C)C |