| SpectraBase Compound ID | IFKc6tmYPPx |
|---|---|
| InChI | InChI=1S/C19H30O4/c1-5-9-10-13-17(8-4)23-19(21)15-11-14-18(20)22-16(7-3)12-6-2/h8,16-17H,4-5,7,9-11,13-15H2,1-3H3 |
| InChIKey | SZYOPPTUJHLDCK-UHFFFAOYSA-N |
| Mol Weight | 322.45 g/mol |
| Molecular Formula | C19H30O4 |
| Exact Mass | 322.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JGuK62iPhDJ |
|---|---|
| Name | Glutaric acid, oct-1-en-3-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 | 322.214409442 u |
| Formula | C19H30O4 |
| InChI | InChI=1S/C19H30O4/c1-5-9-10-13-17(8-4)23-19(21)15-11-14-18(20)22-16(7-3)12-6-2/h8,16-17H,4-5,7,9-11,13-15H2,1-3H3 |
| InChIKey | SZYOPPTUJHLDCK-UHFFFAOYSA-N |
| Molecular Weight | 322.445 g/mol |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OC(C=C)CCCCC)=O |