| SpectraBase Compound ID | 5Y0b9qwMHbo |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-5-9-15-22-18(20)11-10-12-19(21)23-17(8-4)14-13-16(6-2)7-3/h16-17H,5-15H2,1-4H3 |
| InChIKey | XGVKPTXQUIFMJH-UHFFFAOYSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C19H36O4 |
| Exact Mass | 328.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I4gWoxEv8G4 |
|---|---|
| Name | Glutaric acid, butyl 6-ethyloct-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.261359635 u |
| Formula | C19H36O4 |
| InChI | InChI=1S/C19H36O4/c1-5-9-15-22-18(20)11-10-12-19(21)23-17(8-4)14-13-16(6-2)7-3/h16-17H,5-15H2,1-4H3 |
| InChIKey | XGVKPTXQUIFMJH-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(C(OC(=O)CCCC(OCCCC)=O)CCC(CC)CC)C |