| SpectraBase Compound ID | Gh5Y7ql9qpj |
|---|---|
| InChI | InChI=1S/C19H24O4/c1-4-9-16(6-3)22-18(20)12-8-13-19(21)23-17-11-7-10-15(5-2)14-17/h7,10-11,14,16H,5-6,8,12-13H2,1-3H3 |
| InChIKey | OXURDZWSFVNBEH-UHFFFAOYSA-N |
| Mol Weight | 316.4 g/mol |
| Molecular Formula | C19H24O4 |
| Exact Mass | 316.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9dGVK2DtbR9 |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl 3-ethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.167459249 u |
| Formula | C19H24O4 |
| InChI | InChI=1S/C19H24O4/c1-4-9-16(6-3)22-18(20)12-8-13-19(21)23-17-11-7-10-15(5-2)14-17/h7,10-11,14,16H,5-6,8,12-13H2,1-3H3 |
| InChIKey | OXURDZWSFVNBEH-UHFFFAOYSA-N |
| Molecular Weight | 316.397 g/mol |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OC1=CC=CC(CC)=C1)=O |