| SpectraBase Compound ID | 2hIELVBq0R7 |
|---|---|
| InChI | InChI=1S/C20H26O4/c1-4-10-16-12-7-8-13-18(16)24-20(22)15-9-14-19(21)23-17(6-3)11-5-2/h7-8,12-13,17H,4,6,9-10,14-15H2,1-3H3 |
| InChIKey | GZBXYSMYWRCXCN-UHFFFAOYSA-N |
| Mol Weight | 330.42 g/mol |
| Molecular Formula | C20H26O4 |
| Exact Mass | 330.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AmDoJHIAvEJ |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl 2-propylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.183109313 u |
| Formula | C20H26O4 |
| InChI | InChI=1S/C20H26O4/c1-4-10-16-12-7-8-13-18(16)24-20(22)15-9-14-19(21)23-17(6-3)11-5-2/h7-8,12-13,17H,4,6,9-10,14-15H2,1-3H3 |
| InChIKey | GZBXYSMYWRCXCN-UHFFFAOYSA-N |
| Molecular Weight | 330.424 g/mol |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OC=1C(CCC)=CC=CC1)=O |