| SpectraBase Compound ID | DY8jb4ovcnD |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-5-9(3)15-11(13)7-8-12(14)16-10(4)6-2/h1-2,9-10H,7-8H2,3-4H3 |
| InChIKey | GXTVIHQGISAOOR-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6oYHwNiAK6X |
|---|---|
| Name | Succinic 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 | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-5-9(3)15-11(13)7-8-12(14)16-10(4)6-2/h1-2,9-10H,7-8H2,3-4H3 |
| InChIKey | GXTVIHQGISAOOR-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C(C(OC(C#C)C)=O)CC(OC(C#C)C)=O |