| SpectraBase Compound ID | 6ipmGWj93CA |
|---|---|
| InChI | InChI=1S/C19H22O5/c1-4-7-16(5-2)23-18(21)8-6-9-19(22)24-17-12-10-15(11-13-17)14(3)20/h10-13,16H,5-6,8-9H2,1-3H3 |
| InChIKey | GTJOMMMYQCQVKR-UHFFFAOYSA-N |
| Mol Weight | 330.38 g/mol |
| Molecular Formula | C19H22O5 |
| Exact Mass | 330.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1CgSXPfqqg3 |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl 4-acetylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.146723803 u |
| Formula | C19H22O5 |
| InChI | InChI=1S/C19H22O5/c1-4-7-16(5-2)23-18(21)8-6-9-19(22)24-17-12-10-15(11-13-17)14(3)20/h10-13,16H,5-6,8-9H2,1-3H3 |
| InChIKey | GTJOMMMYQCQVKR-UHFFFAOYSA-N |
| Molecular Weight | 330.380 g/mol |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OC1=CC=C(C(C)=O)C=C1)=O |