| SpectraBase Compound ID | 4YrFV9V3pu1 |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-5-8-14(6-2)20-16(18)10-7-9-15(17)19-12-11-13(3)4/h13-14H,6-7,9-12H2,1-4H3 |
| InChIKey | PWQCTWFYMPEOGI-UHFFFAOYSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Y50A5thMV5 |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.183109313 u |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-5-8-14(6-2)20-16(18)10-7-9-15(17)19-12-11-13(3)4/h13-14H,6-7,9-12H2,1-4H3 |
| InChIKey | PWQCTWFYMPEOGI-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OCCC(C)C)=O |