| SpectraBase Compound ID | JxeAVA3aKcR |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-4-6-8-9-10-11-12-14-19-25-21(23)17-15-18-22(24)26-20(3)16-13-7-5-2/h10-11,20H,4-9,12-19H2,1-3H3/b11-10+ |
| InChIKey | COQDJZZGLKJUFP-ZHACJKMWSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AGf43XkmIcj |
|---|---|
| Name | Glutaric acid, hept-2-yl dec-4-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-4-6-8-9-10-11-12-14-19-25-21(23)17-15-18-22(24)26-20(3)16-13-7-5-2/h10-11,20H,4-9,12-19H2,1-3H3/b11-10+ |
| InChIKey | COQDJZZGLKJUFP-ZHACJKMWSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OCCC\C=C\CCCCC)=O |