| SpectraBase Compound ID | Bh5lxtLUdHi |
|---|---|
| InChI | InChI=1S/C13H20O4/c1-4-7-11(6-3)17-13(15)9-8-12(14)16-10-5-2/h11H,5-6,8-10H2,1-3H3 |
| InChIKey | PZFIJLCZHBZGSE-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 | ElsdmRps8YH |
|---|---|
| Name | Succinic acid, hex-4-yn-3-yl propyl 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/c1-4-7-11(6-3)17-13(15)9-8-12(14)16-10-5-2/h11H,5-6,8-10H2,1-3H3 |
| InChIKey | PZFIJLCZHBZGSE-UHFFFAOYSA-N |
| Molecular Weight | 240.299 g/mol |
| SMILES | C(OC(CC)C#CC)(CCC(OCCC)=O)=O |