| SpectraBase Compound ID | 5PJu1CwD4Un |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-5-10(3)16-12(14)8-7-9-13(15)17-11(4)6-2/h1-2,10-11H,7-9H2,3-4H3 |
| InChIKey | MEAKCWZVIFPMNT-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F4h71zHUXgb |
|---|---|
| Name | Glutaric acid, di(but-3-yn-2-yl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-5-10(3)16-12(14)8-7-9-13(15)17-11(4)6-2/h1-2,10-11H,7-9H2,3-4H3 |
| InChIKey | MEAKCWZVIFPMNT-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C(C(OC(CCCC(OC(C#C)C)=O)=O)C)#C |