| SpectraBase Compound ID | FXVnhauhiau |
|---|---|
| InChI | InChI=1S/C25H46O4/c1-4-6-8-10-12-13-15-17-22-28-24(26)20-18-21-25(27)29-23(3)19-16-14-11-9-7-5-2/h12-13,23H,4-11,14-22H2,1-3H3/b13-12+ |
| InChIKey | JVIQKCVJFQHSDQ-OUKQBFOZSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C25H46O4 |
| Exact Mass | 410.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5NT1Riq2dfy |
|---|---|
| Name | Glutaric acid, dec-2-yl dec-4-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.339609957 u |
| Formula | C25H46O4 |
| InChI | InChI=1S/C25H46O4/c1-4-6-8-10-12-13-15-17-22-28-24(26)20-18-21-25(27)29-23(3)19-16-14-11-9-7-5-2/h12-13,23H,4-11,14-22H2,1-3H3/b13-12+ |
| InChIKey | JVIQKCVJFQHSDQ-OUKQBFOZSA-N |
| Molecular Weight | 410.639 g/mol |
| SMILES | C(CCC(OC(CCCCCCCC)C)=O)C(OCCC\C=C\CCCCC)=O |