| SpectraBase Compound ID | 6XnHflUpUEW |
|---|---|
| InChI | InChI=1S/C16H18O4/c1-4-13(3)19-15(17)9-6-10-16(18)20-14-8-5-7-12(2)11-14/h1,5,7-8,11,13H,6,9-10H2,2-3H3 |
| InChIKey | FKLJBYJCKPWDID-UHFFFAOYSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C16H18O4 |
| Exact Mass | 274.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DNAH352NomX |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.120509056 u |
| Formula | C16H18O4 |
| InChI | InChI=1S/C16H18O4/c1-4-13(3)19-15(17)9-6-10-16(18)20-14-8-5-7-12(2)11-14/h1,5,7-8,11,13H,6,9-10H2,2-3H3 |
| InChIKey | FKLJBYJCKPWDID-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC=1C=CC=C(C)C1)=O |