| SpectraBase Compound ID | LrrLj2kdXUm |
|---|---|
| InChI | InChI=1S/C18H22O5/c1-4-9-14(5-2)22-17(19)12-8-13-18(20)23-16-11-7-6-10-15(16)21-3/h6-7,10-11,14H,5,8,12-13H2,1-3H3 |
| InChIKey | QSIWSUQHRDYBOB-UHFFFAOYSA-N |
| Mol Weight | 318.37 g/mol |
| Molecular Formula | C18H22O5 |
| Exact Mass | 318.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Di0wU6vbmFD |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl 2-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.146723803 u |
| Formula | C18H22O5 |
| InChI | InChI=1S/C18H22O5/c1-4-9-14(5-2)22-17(19)12-8-13-18(20)23-16-11-7-6-10-15(16)21-3/h6-7,10-11,14H,5,8,12-13H2,1-3H3 |
| InChIKey | QSIWSUQHRDYBOB-UHFFFAOYSA-N |
| Molecular Weight | 318.369 g/mol |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OC1=CC=CC=C1OC)=O |