| SpectraBase Compound ID | IN5ZhHmustr |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-5-8-10-13-17(4)23-19(21)15-12-16-20(22)24-18(7-3)14-11-9-6-2/h17-18H,5-16H2,1-4H3 |
| InChIKey | HZFDDAPMHZSTFC-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4iDN9zqxoN |
|---|---|
| Name | Glutaric acid, hept-2-yl 3-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.277009700 u |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-5-8-10-13-17(4)23-19(21)15-12-16-20(22)24-18(7-3)14-11-9-6-2/h17-18H,5-16H2,1-4H3 |
| InChIKey | HZFDDAPMHZSTFC-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC(CCCCC)CC)=O |