| SpectraBase Compound ID | 48f4pu2VtXD |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-5-7-8-10-14(4)20-16(18)12-9-11-15(17)19-13(3)6-2/h2,13-14H,5,7-12H2,1,3-4H3 |
| InChIKey | MRTOHIRKTMSOLV-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 | 4JHzzLvnybO |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 2-heptyl 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/c1-5-7-8-10-14(4)20-16(18)12-9-11-15(17)19-13(3)6-2/h2,13-14H,5,7-12H2,1,3-4H3 |
| InChIKey | MRTOHIRKTMSOLV-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC(CCCCC)C)=O |