| SpectraBase Compound ID | BhPd7gfZ1Ht |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-4-5-6-7-8-9-10-11-12-13-17-23-19(21)15-14-16-20(22)24-18(2)3/h12-13,18H,4-11,14-17H2,1-3H3/b13-12+ |
| InChIKey | FKCYTAPWCAIFMB-OUKQBFOZSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C20H36O4 |
| Exact Mass | 340.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Fqkylf1OZT |
|---|---|
| Name | Glutaric acid, dodec-2-en-1-yl isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.261359635 u |
| Formula | C20H36O4 |
| InChI | InChI=1S/C20H36O4/c1-4-5-6-7-8-9-10-11-12-13-17-23-19(21)15-14-16-20(22)24-18(2)3/h12-13,18H,4-11,14-17H2,1-3H3/b13-12+ |
| InChIKey | FKCYTAPWCAIFMB-OUKQBFOZSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(CCC(OC\C=C\CCCCCCCCC)=O)C(OC(C)C)=O |