| SpectraBase Compound ID | LLqvDSsv7DB |
|---|---|
| InChI | InChI=1S/C25H48O4/c1-6-7-8-9-10-11-12-13-14-15-16-20-28-23(26)18-17-19-24(27)29-25(21(2)3)22(4)5/h21-22,25H,6-20H2,1-5H3 |
| InChIKey | UFKOQBJZELHYPZ-UHFFFAOYSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C25H48O4 |
| Exact Mass | 412.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8PsGeulnMfQ |
|---|---|
| Name | Glutaric acid, 2,4-dimethylpent-3-yl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.355260022 u |
| Formula | C25H48O4 |
| InChI | InChI=1S/C25H48O4/c1-6-7-8-9-10-11-12-13-14-15-16-20-28-23(26)18-17-19-24(27)29-25(21(2)3)22(4)5/h21-22,25H,6-20H2,1-5H3 |
| InChIKey | UFKOQBJZELHYPZ-UHFFFAOYSA-N |
| Molecular Weight | 412.655 g/mol |
| SMILES | CC(C(OC(CCCC(OCCCCCCCCCCCCC)=O)=O)C(C)C)C |