| SpectraBase Compound ID | IGvAz4M5sHV |
|---|---|
| InChI | InChI=1S/C14H22O4/c1-4-8-12(6-3)18-14(16)10-7-9-13(15)17-11-5-2/h12H,5-7,9-11H2,1-3H3 |
| InChIKey | FNGIVOGZPOXAIM-UHFFFAOYSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C14H22O4 |
| Exact Mass | 254.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9XFJKvV0H50 |
|---|---|
| Name | Glutaric 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 | 254.151809184 u |
| Formula | C14H22O4 |
| InChI | InChI=1S/C14H22O4/c1-4-8-12(6-3)18-14(16)10-7-9-13(15)17-11-5-2/h12H,5-7,9-11H2,1-3H3 |
| InChIKey | FNGIVOGZPOXAIM-UHFFFAOYSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | CCC(OC(CCCC(OCCC)=O)=O)C#CC |