| SpectraBase Compound ID | HR2p9jG3EpH |
|---|---|
| InChI | InChI=1S/C16H24O4/c1-5-9-13(4)19-15(17)11-8-12-16(18)20-14(7-3)10-6-2/h5,13-14H,1,7-9,11-12H2,2-4H3 |
| InChIKey | MWXPQJDDFTVTPF-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 | 43K1yp5E55m |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl pent-4-en-2-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/c1-5-9-13(4)19-15(17)11-8-12-16(18)20-14(7-3)10-6-2/h5,13-14H,1,7-9,11-12H2,2-4H3 |
| InChIKey | MWXPQJDDFTVTPF-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OC(C)CC=C)=O |