| SpectraBase Compound ID | 2NQ7A9ST1Dt |
|---|---|
| InChI | InChI=1S/C17H20O6/c1-5-12(2)22-15(18)10-7-11-16(19)23-17-13(20-3)8-6-9-14(17)21-4/h1,6,8-9,12H,7,10-11H2,2-4H3 |
| InChIKey | FSMRGUGMWRELBU-UHFFFAOYSA-N |
| Mol Weight | 320.34 g/mol |
| Molecular Formula | C17H20O6 |
| Exact Mass | 320.125988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D4HTbQwq4Iy |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 2,6-dimethoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.125988358 u |
| Formula | C17H20O6 |
| InChI | InChI=1S/C17H20O6/c1-5-12(2)22-15(18)10-7-11-16(19)23-17-13(20-3)8-6-9-14(17)21-4/h1,6,8-9,12H,7,10-11H2,2-4H3 |
| InChIKey | FSMRGUGMWRELBU-UHFFFAOYSA-N |
| Molecular Weight | 320.341 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC1=C(C=CC=C1OC)OC)=O |