| SpectraBase Compound ID | H0bbyTMCiAN |
|---|---|
| InChI | InChI=1S/C18H28O4/c1-4-7-8-9-10-11-12-13-14-15-16(17(19)21-5-2)18(20)22-6-3/h4,16H,1,5-10,13-15H2,2-3H3 |
| InChIKey | DPIZPDFYTGMQHI-UHFFFAOYSA-N |
| Mol Weight | 308.42 g/mol |
| Molecular Formula | C18H28O4 |
| Exact Mass | 308.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7uRjBqCF65E |
|---|---|
| Name | 2-Undec-10-en-4-ynyl-malonic acid diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.198759378 u |
| Formula | C18H28O4 |
| InChI | InChI=1S/C18H28O4/c1-4-7-8-9-10-11-12-13-14-15-16(17(19)21-5-2)18(20)22-6-3/h4,16H,1,5-10,13-15H2,2-3H3 |
| InChIKey | DPIZPDFYTGMQHI-UHFFFAOYSA-N |
| Molecular Weight | 308.418 g/mol |
| SMILES | C(C(=O)OCC)(C(=O)OCC)CCCC#CCCCCC=C |