| SpectraBase Compound ID | 21lDTyqsY6R |
|---|---|
| InChI | InChI=1S/C20H32O4/c1-4-6-7-8-9-10-11-12-13-17-23-19(21)15-14-16-20(22)24-18(3)5-2/h2,12-13,18H,4,6-11,14-17H2,1,3H3/b13-12+ |
| InChIKey | DNLRHLDDOFFZMN-OUKQBFOZSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C20H32O4 |
| Exact Mass | 336.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C0u7ra50yp6 |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl undec-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.230059506 u |
| Formula | C20H32O4 |
| InChI | InChI=1S/C20H32O4/c1-4-6-7-8-9-10-11-12-13-17-23-19(21)15-14-16-20(22)24-18(3)5-2/h2,12-13,18H,4,6-11,14-17H2,1,3H3/b13-12+ |
| InChIKey | DNLRHLDDOFFZMN-OUKQBFOZSA-N |
| Molecular Weight | 336.472 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC\C=C\CCCCCCCC)=O |