| SpectraBase Compound ID | LpEjDZLLOv |
|---|---|
| InChI | InChI=1S/C21H22O4/c1-3-9-17(4-2)24-20(22)14-8-15-21(23)25-19-13-7-11-16-10-5-6-12-18(16)19/h5-7,10-13,17H,4,8,14-15H2,1-2H3 |
| InChIKey | VEUWPWOBRIVPCD-UHFFFAOYSA-N |
| Mol Weight | 338.4 g/mol |
| Molecular Formula | C21H22O4 |
| Exact Mass | 338.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9AHVsFIZJ9S |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl 1-naphthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.151809184 u |
| Formula | C21H22O4 |
| InChI | InChI=1S/C21H22O4/c1-3-9-17(4-2)24-20(22)14-8-15-21(23)25-19-13-7-11-16-10-5-6-12-18(16)19/h5-7,10-13,17H,4,8,14-15H2,1-2H3 |
| InChIKey | VEUWPWOBRIVPCD-UHFFFAOYSA-N |
| Molecular Weight | 338.403 g/mol |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OC=1C2=C(C=CC1)C=CC=C2)=O |