| SpectraBase Compound ID | 2vtguTP2ULn |
|---|---|
| InChI | InChI=1S/C15H24O4/c1-4-9-13(6-3)19-15(17)11-8-7-10-14(16)18-12-5-2/h13H,5-8,10-12H2,1-3H3 |
| InChIKey | GFIBLJDJBPRSFR-UHFFFAOYSA-N |
| Mol Weight | 268.35 g/mol |
| Molecular Formula | C15H24O4 |
| Exact Mass | 268.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gyx3JuWP0n3 |
|---|---|
| Name | Adipic 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 | 268.167459249 u |
| Formula | C15H24O4 |
| InChI | InChI=1S/C15H24O4/c1-4-9-13(6-3)19-15(17)11-8-7-10-14(16)18-12-5-2/h13H,5-8,10-12H2,1-3H3 |
| InChIKey | GFIBLJDJBPRSFR-UHFFFAOYSA-N |
| Molecular Weight | 268.353 g/mol |
| SMILES | C(=O)(CCCCC(OCCC)=O)OC(C#CC)CC |