| SpectraBase Compound ID | InwmV54Psy3 |
|---|---|
| InChI | InChI=1S/C13H20O4/c1-3-5-11-17-13(15)9-7-6-8-12(14)16-10-4-2/h2H,3,5-11H2,1H3 |
| InChIKey | NOFASCQCJRZYIT-UHFFFAOYSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C13H20O4 |
| Exact Mass | 240.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | iUQteXXWE |
|---|---|
| Name | Adipic acid, butyl propargyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.136159120 u |
| Formula | C13H20O4 |
| InChI | InChI=1S/C13H20O4/c1-3-5-11-17-13(15)9-7-6-8-12(14)16-10-4-2/h2H,3,5-11H2,1H3 |
| InChIKey | NOFASCQCJRZYIT-UHFFFAOYSA-N |
| Molecular Weight | 240.299 g/mol |
| SMILES | C(C(=O)OCC#C)CCCC(OCCCC)=O |