| SpectraBase Compound ID | 3TiHDJS4k68 |
|---|---|
| InChI | InChI=1S/C17H18O4/c1-2-20-16(18)11-6-12-17(19)21-15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10H,2,6,11-12H2,1H3 |
| InChIKey | LJNAOGVWAWXGAZ-UHFFFAOYSA-N |
| Mol Weight | 286.33 g/mol |
| Molecular Formula | C17H18O4 |
| Exact Mass | 286.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GYIvtJOH50i |
|---|---|
| Name | Glutaric acid, ethyl 1-naphthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.120509056 u |
| Formula | C17H18O4 |
| InChI | InChI=1S/C17H18O4/c1-2-20-16(18)11-6-12-17(19)21-15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10H,2,6,11-12H2,1H3 |
| InChIKey | LJNAOGVWAWXGAZ-UHFFFAOYSA-N |
| SMILES | C1=CC2=C(C=C1)C=CC=C2OC(=O)CCCC(OCC)=O |