| SpectraBase Compound ID | 4palaCr4NiW |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-4-6-8-10-11-12-15-19(3)25-21(23)17-14-16-20(22)24-18-13-9-7-5-2/h7,9,19H,4-6,8,10-18H2,1-3H3/b9-7+ |
| InChIKey | QYEKZAQIJBNMAE-VQHVLOKHSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H38O4 |
| Exact Mass | 354.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8MEZfeuv7NM |
|---|---|
| Name | Glutaric acid, dec-2-yl trans-hex-3-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.277009700 u |
| Formula | C21H38O4 |
| InChI | InChI=1S/C21H38O4/c1-4-6-8-10-11-12-15-19(3)25-21(23)17-14-16-20(22)24-18-13-9-7-5-2/h7,9,19H,4-6,8,10-18H2,1-3H3/b9-7+ |
| InChIKey | QYEKZAQIJBNMAE-VQHVLOKHSA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | C(CCC(OC(CCCCCCCC)C)=O)C(OCC\C=C\CC)=O |