| SpectraBase Compound ID | G5VRIb1ROtM |
|---|---|
| InChI | InChI=1S/C16H24O4/c1-5-8-14(6-2)20-16(18)10-7-9-15(17)19-12-11-13(3)4/h11,14H,6-7,9-10,12H2,1-4H3 |
| InChIKey | JCFQXMXZIZYBOK-UHFFFAOYSA-N |
| Mol Weight | 280.36 g/mol |
| Molecular Formula | C16H24O4 |
| Exact Mass | 280.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 28jr4Kfj4nf |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-en-1-yl hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.167459249 u |
| Formula | C16H24O4 |
| InChI | InChI=1S/C16H24O4/c1-5-8-14(6-2)20-16(18)10-7-9-15(17)19-12-11-13(3)4/h11,14H,6-7,9-10,12H2,1-4H3 |
| InChIKey | JCFQXMXZIZYBOK-UHFFFAOYSA-N |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OC(CC)C#CC)=O |